SCHEMBL4133321

SCHEMBL4133321

CC(C)CC(Oc1ccc(C#N)c(C(F)(F)F)c1)C(=O)NCc1ccc(O)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.46
ERCC4 Q92889 3/20 0.46
AR P10275 11/20 0.43
SCN9A Q15858 2/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
FPR2 P25090 1/20 0.38
PLA2G7 Q13093 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) AR
SCHEMBL4136219 0.88 PLA2G7 (0.42) ARRXRARXRBRXRGPLA2G7
SCHEMBL4135308 0.88 AR (0.45) AR
SCHEMBL4141038 0.88 AR (0.45) AR
SCHEMBL4138191 0.87 AR (0.50) ARPLA2G7
SCHEMBL4136182 0.86 AR (0.50) ARSCN9A
SCHEMBL13771896 0.86 AR (0.44) ARSCN9AFPR2PLA2G7
SCHEMBL4132840 0.85 ANPEP (0.48) AR
SCHEMBL13771906 0.85 AR (0.38) ARSCN9ARXRARXRBRXRG
SCHEMBL13771902 0.85 HPGD (0.48)

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 ERCC1 3675/4885ERCC4 3707/4885AR 1/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG ERCC1 3675/4885ERCC4 3707/4885AR 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.