SCHEMBL4132840

SCHEMBL4132840

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.48
AR P10275 5/20 0.47
PGR P06401 2/20 0.47
CTSK P43235 5/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MMP13 P45452 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
SCHEMBL4147331 0.91 CTSK (0.49) ARPGRCTSKMEN1KMT2A
SCHEMBL4136308 0.91 AR (0.47) ANPEPARPGRCTSK
SCHEMBL4136182 0.90 AR (0.50) AR
SCHEMBL4141038 0.90 AR (0.45) ARPGRCTSK
SCHEMBL4135308 0.90 AR (0.45) ARPGRCTSK
SCHEMBL4141069 0.89 AR (0.47) ARPGRMEN1POLBKMT2A
SCHEMBL4138191 0.88 AR (0.50) ARPGRCTSKATM
SCHEMBL4133321 0.85 ERCC1 (0.46) AR
SCHEMBL13771897 0.85 HTT (0.48) ARMEN1POLBKMT2AALDH1A1
SCHEMBL13771896 0.84 AR (0.44) ARALDH1A1LMNA

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 ANPEP 592/4885AR 1/4885PGR 43/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG ANPEP 592/4885AR 1/4885PGR 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.