SCHEMBL4138191

SCHEMBL4138191

COc1cc(CNC(=O)C(CC(C)C)Oc2ccc(C#N)c(C(F)(F)F)c2)ccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.50
CTSD P07339 5/20 0.43
PGR P06401 1/20 0.40
CTSK P43235 1/20 0.39
PLA2G7 Q13093 1/20 0.39
ATM Q13315 1/20 0.39

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 0.91 AR (0.47) ARPGRCTSK
SCHEMBL4132840 0.88 ANPEP (0.48) ARPGRCTSKATM
SCHEMBL4133321 0.87 ERCC1 (0.46) ARPLA2G7
SCHEMBL4136219 0.86 PLA2G7 (0.42) ARPLA2G7
SCHEMBL4135308 0.86 AR (0.45) ARPGRCTSK
SCHEMBL4141038 0.86 AR (0.45) ARPGRCTSK
SCHEMBL4135589 0.86 NR3C1 (0.44) ARPGRCTSK
SCHEMBL4135669 0.86 AR (0.51) ARPGRCTSK
SCHEMBL4136182 0.85 AR (0.50) AR
SCHEMBL13771896 0.84 AR (0.44) ARPLA2G7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 AR 1/4885CTSD 2987/4885PGR 43/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG AR 1/4885CTSD 2987/4885PGR 43/4885

“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.