{"id":"W4312113259","doi":"10.1021/acs.jmedchem.2c01421","title":"Discovery of High-Affinity Small-Molecule Binders of the Epigenetic Reader YEATS4","year":2022,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"European Federation of Pharmaceutical Industries and Associations; McGill University; H2020 Societal Challenges; Pfizer","keywords":"Chemistry; Small molecule; Epigenetics; Acetylation; In vivo; Potency; Lysine; Molecule; In vitro; Selectivity; Structure–activity relationship; Computational biology; Stereochemistry; Förster resonance energy transfer; Biophysics; Combinatorial chemistry; Nanotechnology; Biochemistry; Fluorescence; Gene; Genetics; Amino acid; Organic chemistry; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002952281,0.000434361,0.0004975382,0.0003009697,0.0001397622,0.000360574,0.0005118931,0.0003511802,0.002338013],"category_scores_gemma":[0.0003191175,0.0002218574,0.0002567432,0.0002265803,0.0002415483,0.0002593718,0.0003148348,0.0006454671,0.0006476673],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005436621,"about_ca_system_score_gemma":0.0002153092,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004236002,"about_ca_topic_score_gemma":0.0008319657,"domain_scores_codex":[0.999899,0.00002122668,0.00000617996,0.00001677635,0.0000312717,0.0000255756],"domain_scores_gemma":[0.9999123,0.00001901176,0.0000191932,0.000007630045,0.00001502153,0.00002688805],"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":[0.0005092226,0.0002301159,0.0004412206,0.0001586882,0.00004748756,0.0002754595,0.0000631604,0.002881839,0.9715924,0.00124997,0.0006145608,0.02193583],"study_design_scores_gemma":[0.0003364299,0.002099502,0.001096901,0.00001565896,0.00004745044,0.0005928329,0.0000335888,0.003764979,0.9783428,0.0002140056,0.0134308,0.00002491993],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9673772,0.005813517,0.01883452,0.0003317351,0.00007253519,0.000361999,0.000655595,0.00030528,0.006247607],"genre_scores_gemma":[0.9814294,0.003043792,0.007799618,0.0001461478,0.00002402863,0.0001211984,0.0007645012,0.00002652264,0.006644905],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002338013,"threshold_uncertainty_score":0.007821441,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01025664589363532,"score_gpt":0.2208825905011442,"score_spread":0.2106259446075089,"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."}}