{"id":"W1994563738","doi":"10.1021/jm301588r","title":"Optimization of 3,5-Dimethylisoxazole Derivatives as Potent Bromodomain Ligands","year":2013,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":139,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Canadian Institutes of Health Research; Cancer Research UK; Wellcome Trust","keywords":"Bromodomain; Chemistry; BRD4; Epigenetics; Acetylation; Cytotoxicity; Myeloid leukemia; Ligand (biochemistry); Gene knockdown; Cancer research; Biochemistry; Combinatorial chemistry; Stereochemistry; In vitro; Apoptosis; Receptor; Gene; Biology","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000241298,0.0001053313,0.0001835496,0.00003223127,0.00002753637,0.00001011695,0.0001761567,0.0001219329,0.0002852808],"category_scores_gemma":[0.0003899793,0.00008433915,0.0001007227,0.00007753439,0.00009849873,0.00001240138,0.00003900171,0.000136408,0.000002409009],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001564596,"about_ca_system_score_gemma":0.0001257209,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007833855,"about_ca_topic_score_gemma":9.414011e-8,"domain_scores_codex":[0.999049,0.00002142377,0.0004251329,0.0001025136,0.0002883915,0.0001135021],"domain_scores_gemma":[0.9989306,0.00001379865,0.0004481513,0.000139156,0.0003443223,0.0001239714],"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":[0.00006182132,0.00006237058,0.000256295,0.00003933562,0.00004964244,0.000003418506,0.00004164236,0.000583876,0.9942012,0.00000299597,0.003468215,0.001229122],"study_design_scores_gemma":[0.0007111142,0.0002976094,0.000312447,0.00008537833,0.00001995027,0.000149901,0.0003382965,0.0001185858,0.9964883,0.00008476448,0.001310563,0.00008305672],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9887851,0.001242971,0.006774977,0.0006191375,0.00009920846,0.0000724155,0.000001760745,0.000002847894,0.002401578],"genre_scores_gemma":[0.9954285,0.0002450614,0.003216924,0.0001520337,0.0004209988,0.000002957172,0.00001707058,0.00001109228,0.0005053395],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006643418,"threshold_uncertainty_score":0.3439251,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00478282702163727,"score_gpt":0.2285439622458426,"score_spread":0.2237611352242053,"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."}}