Sugi Predict

Sugi Predict / Compounds / SCHEMBL4019990

SCHEMBL4019990

SCHEMBL4019990

CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 5/20 0.68
▸ SRD5A1 P18405 2/20 0.68
▸ AR P10275 1/20 0.68
▸ LMNA P02545 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ CYP2C9 P11712 2/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ ABCC4 O15439 1/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ ADORA3 P0DMS8 1/20 0.66
▸ CHRM1 P11229 1/20 0.66
▸ HSD3B1 P14060 1/20 0.66
▸ NFKB1 P19838 1/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ THPO P40225 1/20 0.66
▸ BLM P54132 1/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14506163 1.00 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL4019993 1.00 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL5699698 1.00 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL26155447 1.00 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL5699657 1.00 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL9215708 0.92 SRD5A2 (0.64) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL9215700 0.92 SRD5A2 (0.64) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL9562169 0.91 SRD5A2 (0.65) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL9562162 0.91 SRD5A2 (0.65) SRD5A2SRD5A1ARLMNACYP3A4
SCHEMBL10485635 0.91 SRD5A2 (0.68) SRD5A2SRD5A1ARLMNACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213502-B Method for refining finasteride, finasteride preparation and preparation method thereof 湖南醇健制药科技有限公司 2024-02-13 — — CN disclosed
CN-114002357-B Method for detecting finasteride epoxy impurities by utilizing high performance liquid chromatograph 湖南科瑞生物制药股份有限公司 2024-02-02 — — CN disclosed
CN-117285585-A Preparation method of finasteride iodide 天方药业有限公司 2023-12-26 — — CN disclosed
WO-2023082368-A1 4-AZASTEROID COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 湖南科瑞生物制药股份有限公司 2023-05-19 — — WO disclosed
CN-114213502-A Finasteride refining method, finasteride preparation and preparation method thereof 湖南醇健制药科技有限公司 2022-03-22 — — CN disclosed
CN-114002357-A Method for detecting finasteride epoxy impurities by using high performance liquid chromatograph 湖南科瑞生物制药股份有限公司 2022-02-01 — — CN disclosed
US-7531658-B2 Reacting 17-carboxylic acid-3-oxo-4-azasteroid with carbonyl- or sulfinyl-diimidazole and amidating the product with an amime in the presence of a heterocyclic hydroxyl activator; avoids the use of expensive and moisture sensitive organomagnesium halide; preparing Finasteride and Dutasteride APOTEX PHARMACHEM INC. (CA) 2009-05-12 — — US disclosed
WO-2008101308-A1 PROCESS FOR THE PREPARATION OF 17-N-SUBSTITUTED-CARBAMOYL-4-AZA-ANDROST-1 -EN-3-ONES APOTEX PHARMACHEM INC. (CA) 2008-08-28 — — WO disclosed
US-20080044350-A1 Optical Imaging Contrast Agents for Imaging Lung Cancer GE HEALTHCARE AS (NO) 2008-02-21 — — US disclosed
EP-1437361-B1 METHOD OF PRODUCING 17BETA-(SUBSTITUTED)-3-OXO-DELTA 1,2-4-AZASTEROIDS RAGACTIVES SL (ES) 2007-10-31 — — EP disclosed
EP-0285382-B1 Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO INC (US) 1994-04-13 — — EP disclosed
EP-0285383-B1 Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO INC (US) 1994-03-16 — — EP disclosed
EP-0547691-A1 The use of 17B-N-mono-substituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones for the preparation of a medicament for the prevention of prostatic carcinoma MERCK & CO. INC. (US) 1993-06-23 — — EP disclosed
US-5116983-A Azasteroids as intermediates MERCK & CO., INC. (US) 1992-05-26 — — US disclosed
US-5084574-A Reacting a 3-oxo-4-azasteroid with a silyating agent and quinone to form a double bond at the #1 ring position MERCK & CO., INC. (US) 1992-01-28 — — US disclosed
EP-0298652-A2 Dehydrogenation process and intermediates MERCK & CO. INC. (US) 1989-01-11 — — EP disclosed
EP-0285383-A2 Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 — — EP disclosed
EP-0285382-A2 Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 — — EP disclosed
US-4760071-A Enzyme inhibitor MERCK & CO., INC. (US) 1988-07-26 — — US disclosed
EP-0155096-A2 17 Beta-Substituted-4-aza-5-alpha-androstenones and their use as 5-alpha-reductase inhibitors MERCK & CO. INC. (US) 1985-09-18 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080044350-A1 Optical Imaging Contrast Agents for Imaging Lung Cancer KLK3, ROCK1, SMO SRD5A2 1488/4885SRD5A1 1194/4885AR 50/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.