SCHEMBL6858309

SCHEMBL6858309

COc1cccc(Cn2c(C(=O)O)c(-c3ncc(C4CC4)s3)c3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.50
EDNRA P25101 7/20 0.50
FABP4 P15090 1/20 0.43
PLA2G2A P14555 2/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 2/20 0.42
CCR2 P41597 1/20 0.42
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
YWHAH Q04917 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL27580253 0.89 EDNRB (0.41) EDNRBEDNRAPLA2G2AALDH1A1PKM
SCHEMBL6857506 0.77 EDNRB (0.52) EDNRBEDNRAFABP4TP53
SCHEMBL6855189 0.74 DRD4 (0.53) EDNRBEDNRAMAPT
SCHEMBL7188348 0.74 EDNRB (0.64) EDNRBEDNRAFABP4PLA2G2AALDH1A1
SCHEMBL6307109 0.74 EDNRB (0.64) EDNRBEDNRAFABP4PLA2G2AALDH1A1
SCHEMBL6851233 0.73 MAPT (0.53) EDNRBEDNRAALDH1A1MAPT
SCHEMBL6858314 0.71 MAPT (0.48) EDNRBEDNRAFABP4MAPTTP53
SCHEMBL6859418 0.71 PPARG (0.47) FABP4MAPTTP53MEN1KMT2A
SCHEMBL6858334 0.69 EDNRB (0.62) EDNRBEDNRAPLA2G2A
SCHEMBL6851276 0.69 EDNRB (0.52) EDNRBEDNRAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787651-B2 2-CARBOXY-SUBSTITUTED; TREATING OSTEOPENIA, OSTEOPOROSIS, CANCER, DIABETES AND ATHEROSCLEROSIS. SMITHKLINE BEECHAM CORPORATION 2004-09-07 US disclosed
US-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents SMITHKLINE BEECHAM CORPORATION 2003-05-08 US 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 (1 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-20030087902-A1 Substituted indoles, pharmaceutical compounds containing such indoles and their use as PPAR-gamma binding agents PPARG, PPARA, PPARD EDNRB 170/4885EDNRA 98/4885FABP4 25/4885

“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.