{"id":"W4376269900","doi":"10.1021/acs.jmedchem.3c00021","title":"Discovery, Synthesis, and In Vitro Characterization of 2,3 Derivatives of 4,5,6,7-Tetrahydro-Benzothiophene as Potent Modulators of Retinoic Acid Receptor-Related Orphan Receptor γt","year":2023,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Estrogen and related hormone effects","field":"Biochemistry, Genetics and Molecular Biology","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University; McGill University Health Centre","funders":"McGill University","keywords":"Benzothiophene; Chemistry; Inverse agonist; Nuclear receptor; Retinoic acid; Receptor; Retinoic acid receptor; Orphan receptor; Pharmacology; Stereochemistry; Agonist; Biochemistry; Biology","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":[0.0001244174,0.0002580748,0.0001799859,0.000133976,0.0001102554,0.0001306095,0.000160832,0.0001687557,0.0008158739],"category_scores_gemma":[0.0001484143,0.000104015,0.0001919972,0.0001997154,0.00009347569,0.0001249468,0.0001245728,0.0002719901,0.0003134293],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001251161,"about_ca_system_score_gemma":0.0001834411,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000688907,"about_ca_topic_score_gemma":0.001534996,"domain_scores_codex":[0.9999388,0.0000175424,0.000004380947,0.000007205939,0.00001807035,0.00001383833],"domain_scores_gemma":[0.9999428,0.00000791149,0.00001757175,0.00000650008,0.00001175107,0.0000134252],"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":[0.00007018634,0.00005353006,0.00009570637,0.00007230485,0.000009745286,0.00009779786,0.0000314206,0.0004563788,0.9965774,0.00009734497,0.00007872695,0.00235941],"study_design_scores_gemma":[0.00003131725,0.0009119425,0.001204871,0.000007500414,0.00002102773,0.0001677194,0.00001939104,0.0005820342,0.9929394,0.00003262076,0.004074729,0.000007385581],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9842578,0.005978593,0.005384843,0.0001496966,0.00003757402,0.000142835,0.000738501,0.00005549358,0.003254663],"genre_scores_gemma":[0.984983,0.005729227,0.00475026,0.0000581969,0.00001512832,0.00006861471,0.0007581716,0.00001747551,0.003619757],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008158739,"threshold_uncertainty_score":0.002729356,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004130270498642136,"score_gpt":0.2206255198326788,"score_spread":0.2164952493340366,"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."}}