{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002942662,0.0009244618,0.00077834,0.0005981899,0.000272898,0.0005258361,0.0005444582,0.0005062483,0.00480257],"category_scores_gemma":[0.0004127125,0.0002718222,0.000417381,0.0005733775,0.0004157654,0.000405068,0.0006636762,0.00139016,0.00245008],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000399459,"about_ca_system_score_gemma":0.0003349826,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004384978,"about_ca_topic_score_gemma":0.0009362347,"domain_scores_codex":[0.9997302,0.00002741651,0.00001472025,0.00005781746,0.0001051247,0.00006473414],"domain_scores_gemma":[0.9998535,0.00003454389,0.00002155178,0.00002313285,0.0000245051,0.00004268368],"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":[0.0003040177,0.0001299673,0.0001511445,0.0001096978,0.00001872421,0.0002051024,0.00004928259,0.0005227419,0.9820055,0.0002972092,0.0004874029,0.01571921],"study_design_scores_gemma":[0.0001108262,0.002000406,0.001305028,0.00001953197,0.00006133762,0.001268103,0.00004167294,0.0009324002,0.9732463,0.0001719469,0.02080162,0.00004089432],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8582169,0.007845904,0.1032251,0.0005993099,0.0002635941,0.001372213,0.007156842,0.002106037,0.01921411],"genre_scores_gemma":[0.9267392,0.003844702,0.03993777,0.0003799071,0.00004806662,0.00060672,0.01096714,0.000249197,0.01722734],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00480257,"threshold_uncertainty_score":0.01606625,"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."}}