{"id":"W2196777184","doi":"10.1039/c5sc03115j","title":"A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain","year":2015,"lang":"en","type":"article","venue":"Chemical Science","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":191,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium","funders":"Janssen Pharmaceuticals; Engineering and Physical Sciences Research Council; Ministero dello Sviluppo Economico; Swansea University; Worldwide Cancer Research; Ontario Ministry of Economic Development and Innovation; Wellcome Trust; Takeda Pharmaceutical Company; European Federation of Pharmaceutical Industries and Associations; AbbVie; Wellcome; Merck; Fundação de Amparo à Pesquisa do Estado de São Paulo; Genome Canada; Novartis Pharma; Novartis; European Commission; Pfizer","keywords":"Bromodomain; Fragment (logic); Chemistry; Combinatorial chemistry; Stereochemistry; Computational biology; Biochemistry; Computer science; Biology; Epigenetics; Algorithm","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004983828,0.0001124169,0.0001106944,0.00003615871,0.000114208,0.00004317308,0.0004541571,0.0001021808,0.00002846766],"category_scores_gemma":[0.0005996432,0.00007602231,0.00005630369,0.0003113252,0.0006469264,0.00003335229,0.0002689857,0.00008912392,0.000002782693],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002125677,"about_ca_system_score_gemma":0.0001994755,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007630457,"about_ca_topic_score_gemma":8.943229e-7,"domain_scores_codex":[0.9987018,0.00003519468,0.0002714384,0.0003903894,0.0003665939,0.0002346408],"domain_scores_gemma":[0.999122,0.00001983389,0.0001178786,0.0004587948,0.00006799289,0.0002135296],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00006766271,0.00007197922,0.0003395309,0.000005989814,0.000003356996,0.00000164199,0.00009941862,0.000006825389,0.9959192,0.00008217463,0.001919505,0.001482748],"study_design_scores_gemma":[0.0002346075,0.0001272677,0.0001968509,0.00003610931,0.000005025271,0.00001424641,0.0001660602,0.0002219679,0.9913345,0.0002412131,0.007309909,0.0001122336],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9975514,0.0002271338,0.0002020712,0.0008843635,0.0001336201,0.0001725239,0.000002388862,0.00002185424,0.0008046224],"genre_scores_gemma":[0.9987321,0.00001946467,0.0007451237,0.0002595532,0.0001540172,0.00001592349,0.0000178648,0.000009567172,0.00004637328],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005390404,"threshold_uncertainty_score":0.31001,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02217427758218534,"score_gpt":0.2444993015377055,"score_spread":0.2223250239555202,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}