SCHEMBL2807077

SCHEMBL2807077

COCCOc1cc(O)cc(Cn2c(C(=O)OCc3ccccc3)c(-c3ccc(C(C)(C)C)cc3)c3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.43
PPARG P37231 6/20 0.42
HDAC6 Q9UBN7 3/20 0.40
HDAC1 Q13547 2/20 0.40
FOLH1 Q04609 1/20 0.39
MAPK8 P45983 3/20 0.38
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
EGFR P00533 1/20 0.37
PIN1 Q13526 1/20 0.37

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
SCHEMBL2811167 0.93 PTGER4 (0.42) SERPINE1PPARGFOLH1PIN1
SCHEMBL13168304 0.91 PPARG (0.41) SERPINE1PPARGFOLH1EDNRBPIN1
SCHEMBL2810329 0.91 SERPINE1 (0.42) SERPINE1PPARGHDAC6HDAC1EDNRB
SCHEMBL2807202 0.88 PTGER4 (0.44) SERPINE1PPARGFOLH1PIN1
SCHEMBL2812683 0.88 SERPINE1 (0.51) SERPINE1PPARGHDAC6HDAC1FOLH1
Gsk-376501 SCHEMBL29810243 0.86 SERPINE1 (0.54) SERPINE1PPARGFOLH1EDNRBEDNRA
Gsk-376501 SCHEMBL2813131 0.86 SERPINE1 (0.54) SERPINE1PPARGFOLH1EDNRBEDNRA
SCHEMBL2812771 0.84 PPARG (0.44) SERPINE1PPARGMAPK8
SCHEMBL2807458 0.83 PPARG (0.45) SERPINE1PPARGFOLH1PIN1
SCHEMBL13131775 0.83 SERPINE1 (0.51) SERPINE1PPARGHDAC6HDAC1FOLH1

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-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
CN-101563322-A 1H-indole-2-carboxylic acid derivatives useful as PPAR modulators SMITHKLINE BEECHAM CORPORAITON (US) 2009-10-21 CN 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

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 SERPINE1 4215/4885PPARG 3/4885HDAC6 482/4885

“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.