SCHEMBL4157932

SCHEMBL4157932

CCC[C@H](Oc1ccc(C#N)c(Cl)c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.56
PPARA Q07869 13/20 0.56
MRGPRX4 Q96LA9 1/20 0.46
AR P10275 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
NOS2 P35228 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL4142305 1.00 PPARG (0.56) PPARGPPARAMRGPRX4ARSMN1; SMN2
SCHEMBL4141553 0.87 AR (0.43) PPARGPPARAMRGPRX4ARCYP2D6
SCHEMBL4135704 0.82 MRGPRX4 (0.46) PPARGPPARAMRGPRX4ARCYP2D6
SCHEMBL4145263 0.82 MRGPRX4 (0.46) PPARGPPARAMRGPRX4ARCYP2D6
SCHEMBL4133079 0.81 PPARG (0.52) PPARGPPARAAR
SCHEMBL4489988 0.81 PPARG (0.52) PPARGPPARAAR
SCHEMBL4140884 0.81 PPARG (0.52) PPARGPPARAAR
SCHEMBL5985059 0.79 MRGPRX4 (0.44) MRGPRX4AR
SCHEMBL14437655 0.79 AR (0.47) MRGPRX4ARSMN1; SMN2CYP2D6
SCHEMBL27376804 0.79 AR (0.52) MRGPRX4ARCYP2D6SLC6A2SLC6A4

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 6 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-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 PPARG 173/4885PPARA 203/4885MRGPRX4 1400/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG PPARG 173/4885PPARA 203/4885MRGPRX4 1400/4885

“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.