SCHEMBL4147331

SCHEMBL4147331

COc1cccc(CCNC(=O)C(CC(C)C)Oc2ccc(C#N)c(C(F)(F)F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.49
RAB9A P51151 1/20 0.47
AR P10275 3/20 0.45
PGR P06401 1/20 0.45
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
CTSL P07711 1/20 0.42
CTSS P25774 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL4132840 0.91 ANPEP (0.48) CTSKARPGRMEN1KMT2A
SCHEMBL13771889 0.91 CTSK (0.49) CTSKARPGRMEN1KMT2A
SCHEMBL4148490 0.90 AR (0.48) CTSKAR
SCHEMBL4133066 0.90 RAB9A (0.47) RAB9AARPGRKDM4EMEN1
SCHEMBL4138064 0.86 AR (0.43) CTSKAR
SCHEMBL4140914 0.86 AR (0.43) CTSKAR
SCHEMBL13771941 0.86 AR (0.43) CTSKAR
SCHEMBL4142358 0.86 AR (0.48) CTSKAR
SCHEMBL4135602 0.84 AR (0.50) CTSKARPGR
SCHEMBL4136308 0.84 AR (0.47) CTSKARPGRCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US claimed
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 CTSK 3275/4885RAB9A 4816/4885AR 1/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG CTSK 3275/4885RAB9A 4816/4885AR 1/4885

“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.