SCHEMBL3505702

SCHEMBL3505702

COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@H](F)C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.47
SRD5A2 P31213 1/20 0.47

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
SCHEMBL13403475 1.00 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL13611360 1.00 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL3505704 1.00 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL14355645 1.00 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL14387406 1.00 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL13604090 0.88 AKR1B10 (0.51) SRD5A1SRD5A2
SCHEMBL13604095 0.88 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL13611356 0.88 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL4177936 0.82 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL4177942 0.82 SRD5A1 (0.57) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960417-B1 POLYMORPHS OF ANDROGEN RECEPTOR MODULATOR - (N-3H-IMIDAZO [4 , 5-B] PYRIDIN-2-YL-METHYL) -2-FLUORO-4-METHYL-3-OXO-4-AZA-ANDROST- 1-EN-17 . BETA . -CARBOXAMIDE MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-7696217-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-04-13 US disclosed
US-7625920-B2 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20090082320-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2009-03-26 US disclosed
US-20090048283-A1 Salt of an androgen receptor modulator MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
EP-1960417-A1 POLYMORPHS OF ANDROGEN RECEPTOR MODULATOR - (N-3H-IMIDAZO [4 , 5-B] PYRIDIN-2-YL-METHYL) -2-FLUORO-4-METHYL-3-OXO-4-AZA-ANDROST- 1-EN-17 . BETA . -CARBOXAMIDE Merck & Co., Inc. (US) 2008-08-27 EP disclosed
US-7410977-B2 Fluorinated 4-azasteroids as androgen receptor modulators MERCK & CO., INC. (US) 2008-08-12 US disclosed
EP-1641535-A4 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-05-14 EP disclosed
US-7365202-B2 Polymorphs of an androgen receptor modulator MERCK & CO., INC. (US) 2008-04-29 US disclosed
US-20070243266-A1 Fluorinated 4-Azasteroids as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2007-10-18 US disclosed
US-20060287349-A1 17-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2006-12-21 US disclosed
US-20060287326-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-12-21 US disclosed
EP-1670483-A1 17-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-06-21 EP disclosed
EP-1641535-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
WO-2005105091-A1 FLUORINATED 4-AZASTEROIDS AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-11-10 WO disclosed
US-20050165039-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-07-28 US disclosed
WO-2005025579-A1 17-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-03-24 WO disclosed
WO-2005005380-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-01-20 WO disclosed
EP-1485095-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-15 EP disclosed
WO-2003077919-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-09-25 WO 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 (6 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-20050165039-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators FSHR, AR, NR5A1 SRD5A1 8/4885SRD5A2 12/4885
US-20060287326-A1 17-Acetamido-4-azasteroid derivatives as androgen receptor modulators AR, NR5A1, NR3C1 SRD5A1 12/4885SRD5A2 19/4885
US-20060287349-A1 17-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS AR, SHBG, NR5A1 SRD5A1 18/4885SRD5A2 21/4885
US-20090048283-A1 Salt of an androgen receptor modulator AR, SHBG, FSHR SRD5A1 29/4885SRD5A2 42/4885
US-20070243266-A1 Fluorinated 4-Azasteroids as Androgen Receptor Modulators NR5A1, AR, SHBG SRD5A1 15/4885SRD5A2 19/4885
US-20090082320-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators FSHR, AR, NR5A1 SRD5A1 8/4885SRD5A2 12/4885

“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.