SCHEMBL2810080

SCHEMBL2810080

COc1ccc(-c2c(C(=O)O)n(Cc3cccc(-c4ccc(O)cc4)c3)c3ccccc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.46
EDNRA P25101 6/20 0.46
ALOX5AP P20292 3/20 0.46
PTGS1 P23219 1/20 0.46
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
SERPINE1 P05121 2/20 0.44
CCR2 P41597 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
F2RL3 Q96RI0 3/20 0.43
PPARG P37231 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL2808044 0.83 ALOX5AP (0.46) EDNRBEDNRAALOX5APPTGS1MEN1
SCHEMBL2810203 0.81 SERPINE1 (0.62) EDNRBEDNRASERPINE1PPARG
SCHEMBL13168317 0.80 F2RL3 (0.44) EDNRBALOX5APPTGS1KMT2AF2RL3
SCHEMBL2811225 0.80 MEN1 (0.45) EDNRBEDNRAMEN1KMT2AF2RL3
SCHEMBL2808240 0.75 SERPINE1 (0.57) EDNRBEDNRASERPINE1PPARG
SCHEMBL2807015 0.73 SERPINE1 (0.62) EDNRBEDNRASERPINE1PPARG
SCHEMBL2810671 0.71 SERPINE1 (0.59) EDNRBEDNRASERPINE1CCR2PPARG
SCHEMBL6858332 0.70 PPARG (0.50) EDNRBEDNRAKMT2APPARG
SCHEMBL6858382 0.70 PPARG (0.76) EDNRBEDNRASERPINE1CCR2MEN1
SCHEMBL2810724 0.70 SERPINE1 (0.64) EDNRBEDNRAALOX5APSERPINE1PPARG

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-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US claimed
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
US-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators SMITHKLINE BEECHAM CORPORATION (US) 2010-09-23 US disclosed
EP-2081894-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SmithKline Beecham Corporation (US) 2009-07-29 EP disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 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 (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-20100240642-A1 1H-Indole-2-Carboxylic Acid Derivatives Useful As PPAR Modulators PPARD, PPARA, PPARG EDNRB 452/4885EDNRA 211/4885ALOX5AP 440/4885

“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.