SCHEMBL2811861

SCHEMBL2811861

CC(C)OC(=O)N1CCN(c2cccc(Cn3c(C(=O)O)c(-c4ccc(C(C)(C)C)cc4)c4ccccc43)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.47
EDNRB P24530 3/20 0.43
EDNRA P25101 3/20 0.43
PPARG P37231 8/20 0.40
PTGES O14684 1/20 0.39
PDK2 Q15119 1/20 0.38
FOLH1 Q04609 1/20 0.38
CCR2 P41597 1/20 0.37
FAAH O00519 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
SCHEMBL2810026 0.91 SERPINE1 (0.51) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2811763 0.91 SERPINE1 (0.49) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2810946 0.89 SERPINE1 (0.51) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2809471 0.88 SERPINE1 (0.51) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2811553 0.88 SERPINE1 (0.46) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2809638 0.85 SERPINE1 (0.53) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2811721 0.85 SERPINE1 (0.53) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2808127 0.84 SERPINE1 (0.52) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2809510 0.84 SERPINE1 (0.52) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2811734 0.84 SERPINE1 (0.51) SERPINE1EDNRBEDNRAPPARGFOLH1

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 4215/4885EDNRB 452/4885EDNRA 211/4885

“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.