SCHEMBL2809836

SCHEMBL2809836

COCCOc1cc(Cn2c(C(=O)O)c(Nc3ccc(C(C)(C)C)cc3)c3ccccc32)cc(OCCOC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.50
FOLH1 Q04609 1/20 0.43
PPARG P37231 4/20 0.40
TP53 P04637 1/20 0.39
CCR2 P41597 1/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
PTGER4 P35408 1/20 0.37
CCR9 P51686 1/20 0.37
MARK3 P27448 2/20 0.36
SYK P43405 2/20 0.36
GSK3B P49841 2/20 0.36
PLK1 P53350 2/20 0.36
CAMK2B Q13554 2/20 0.36
MARK2 Q7KZI7 2/20 0.36

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
SCHEMBL2813912 0.90 SERPINE1 (0.42) SERPINE1FOLH1PPARGTP53RAB9A
Gsk-376501 SCHEMBL2813131 0.85 SERPINE1 (0.54) SERPINE1FOLH1PPARGCCR2EDNRB
Gsk-376501 SCHEMBL29810243 0.85 SERPINE1 (0.54) SERPINE1FOLH1PPARGCCR2EDNRB
SCHEMBL2810083 0.84 PPARG (0.54) SERPINE1FOLH1PPARGTP53CCR2
SCHEMBL2812683 0.81 SERPINE1 (0.51) SERPINE1FOLH1PPARGEDNRBEDNRA
SCHEMBL14270619 0.80 PPARG (0.50) SERPINE1FOLH1PPARGTP53CCR2
SCHEMBL2807083 0.79 SERPINE1 (0.51) SERPINE1FOLH1PPARGCCR2EDNRB
SCHEMBL2809577 0.79 PPARG (0.51) SERPINE1FOLH1PPARGEDNRBEDNRA
SCHEMBL2811759 0.78 SERPINE1 (0.48) SERPINE1FOLH1PPARGEDNRBEDNRA
SCHEMBL2811186 0.78 SERPINE1 (0.48) SERPINE1FOLH1PPARGCCR2EDNRB

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 9 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
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 4215/4885FOLH1 2056/4885PPARG 3/4885

“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.