SCHEMBL2810083

SCHEMBL2810083

COCCOc1cc(Cn2c(C(=O)O)c(Oc3ccc(C(C)(C)C)cc3)c3ccccc32)cc(OCCOC)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.54
PPARA Q07869 5/20 0.49
CCR2 P41597 1/20 0.46
FOLH1 Q04609 1/20 0.44
TP53 P04637 1/20 0.42
SERPINE1 P05121 2/20 0.41
CCR9 P51686 1/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
PIN1 Q13526 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
SCHEMBL14270619 0.96 PPARG (0.50) PPARGPPARACCR2FOLH1TP53
SCHEMBL2807510 0.90 PPARG (0.47) PPARGPPARAFOLH1TP53
Gsk-376501 SCHEMBL29810243 0.86 SERPINE1 (0.54) PPARGCCR2FOLH1SERPINE1EDNRB
Gsk-376501 SCHEMBL2813131 0.86 SERPINE1 (0.54) PPARGCCR2FOLH1SERPINE1EDNRB
SCHEMBL2809836 0.84 SERPINE1 (0.50) PPARGCCR2FOLH1TP53SERPINE1
SCHEMBL2812683 0.82 SERPINE1 (0.51) PPARGFOLH1SERPINE1EDNRBEDNRA
SCHEMBL2807083 0.81 SERPINE1 (0.51) PPARGCCR2FOLH1SERPINE1EDNRB
SCHEMBL2809577 0.80 PPARG (0.51) PPARGPPARAFOLH1SERPINE1EDNRB
SCHEMBL2811186 0.80 SERPINE1 (0.48) PPARGCCR2FOLH1SERPINE1EDNRB
SCHEMBL2811759 0.80 SERPINE1 (0.48) PPARGFOLH1SERPINE1EDNRBEDNRA

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 8 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
EP-2081894-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SmithKline Beecham Corporation (US) 2009-07-29 EP claimed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO 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
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

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 PPARG 3/4885PPARA 2/4885CCR2 249/4885

“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.