SCHEMBL4135589

SCHEMBL4135589

COc1ccc(CNC(=O)C(CC(C)C)Oc2ccc(C#N)c(C(F)(F)F)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.44
AR P10275 11/20 0.42
PTGES O14684 1/20 0.42
PGR P06401 1/20 0.39
CTSK P43235 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4136308 0.89 AR (0.47) ARPGRCTSK
SCHEMBL4138191 0.86 AR (0.50) ARPGRCTSK
SCHEMBL13771897 0.85 HTT (0.48) ARPOLB
SCHEMBL13771896 0.85 AR (0.44) ARMAPT
SCHEMBL4136219 0.85 PLA2G7 (0.42) AR
SCHEMBL4135308 0.85 AR (0.45) ARPGRCTSK
SCHEMBL4141038 0.85 AR (0.45) ARPGRCTSK
SCHEMBL4132840 0.84 ANPEP (0.48) ARPGRCTSKPOLB
SCHEMBL4133321 0.84 ERCC1 (0.46) AR
SCHEMBL13771889 0.82 CTSK (0.49) ARPGRCTSKMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
EP-1737813-A1 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005100305-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 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 (2 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-20070197641-A1 Androgen modulators AR, NR5A1, SHBG NR3C1 52/4885AR 1/4885PTGES 1605/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG NR3C1 52/4885AR 1/4885PTGES 1605/4885

“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.