SCHEMBL4139900

SCHEMBL4139900

CCCCC(Oc1ccc(C#N)c(F)c1)C(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.43
PPARG P37231 2/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
MAPK14 Q16539 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
FAAH O00519 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CTSK P43235 1/20 0.38
EPHX2 P34913 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
SCHEMBL4139756 0.87 AR (0.46) PPARGPTGESALOX5PPARA
SCHEMBL4145263 0.82 MRGPRX4 (0.46) PPARGMAPK14PPARAALDH1A1
SCHEMBL4135704 0.82 MRGPRX4 (0.46) PPARGMAPK14PPARAALDH1A1
SCHEMBL4133498 0.81 AR (0.47) PPARGPPARA
SCHEMBL4132662 0.81 AR (0.47) PPARGPPARA
SCHEMBL4135220 0.77 AR (0.49) PPARGPPARA
SCHEMBL4142858 0.76 AR (0.43) PPARGPTGESALOX5L3MBTL1PPARA
SCHEMBL13418412 0.75 PPARG (0.57) PPARGPTGESALOX5TRPV4PPARA
SCHEMBL23764028 0.74 PPARG (0.46) PPARGPPARAALDH1A1EPHX2
SCHEMBL4135308 0.73 AR (0.45) PPARGPPARACTSK

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 CTSD 2987/4885PPARG 173/4885PTGES 1605/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG CTSD 2987/4885PPARG 173/4885PTGES 1605/4885

“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.