SCHEMBL4173538

SCHEMBL4173538

CN1C(=O)C(F)=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)Nc3ccc(F)cc3F)CC[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.55
SRD5A1 P18405 10/20 0.50
SRD5A2 P31213 3/20 0.47
LMNA P02545 1/20 0.43
ABCB11 O95342 1/20 0.43
GLRA1 P23415 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43

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
SCHEMBL4173535 1.00 AR (0.55) ARSRD5A1SRD5A2LMNAABCB11
SCHEMBL4182043 0.92 AR (0.54) ARSRD5A1SRD5A2LMNA
SCHEMBL4182039 0.92 AR (0.54) ARSRD5A1SRD5A2LMNA
SCHEMBL4184510 0.90 SRD5A1 (0.62) ARSRD5A1SRD5A2
SCHEMBL4184512 0.90 SRD5A1 (0.62) ARSRD5A1SRD5A2
SCHEMBL4187781 0.88 SRD5A1 (0.61) ARSRD5A1SRD5A2
SCHEMBL4187777 0.88 SRD5A1 (0.61) ARSRD5A1SRD5A2
SCHEMBL5212632 0.87 AR (0.70) ARSRD5A1SRD5A2
SCHEMBL5215007 0.87 AR (0.70) ARSRD5A1SRD5A2
SCHEMBL4182230 0.87 SRD5A1 (0.63) ARSRD5A1SRD5A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082320-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2009-03-26 US claimed
US-20070088042-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MEISSNER ROBERT S 2007-04-19 US claimed
US-7186838-B2 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-03-06 US claimed
US-20050165039-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-07-28 US claimed
EP-1485095-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-15 EP claimed
WO-2003077919-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-09-25 WO claimed
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-20070088042-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MEISSNER ROBERT S 2007-04-19 US disclosed
US-7186838-B2 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050165039-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-07-28 US 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 (3 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 AR 2/4885SRD5A1 8/4885SRD5A2 12/4885
US-20070088042-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators FSHR, AR, NR5A1 AR 2/4885SRD5A1 8/4885SRD5A2 12/4885
US-20090082320-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators FSHR, AR, NR5A1 AR 2/4885SRD5A1 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.