SCHEMBL2809638

SCHEMBL2809638

CC(C)(C)c1ccc(-c2c(C(=O)O)n(Cc3cccc(N4CCN(S(C)(=O)=O)CC4)c3)c3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.53
EDNRB P24530 2/20 0.46
EDNRA P25101 2/20 0.46
PPARG P37231 8/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
FOLH1 Q04609 1/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
BCL2A1 Q16548 1/20 0.39
USP2 O75604 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2811721 0.93 SERPINE1 (0.53) SERPINE1EDNRBEDNRAPPARGKDM4E
SCHEMBL2810946 0.88 SERPINE1 (0.51) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2809471 0.87 SERPINE1 (0.51) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2809510 0.87 SERPINE1 (0.52) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2808127 0.87 SERPINE1 (0.52) SERPINE1EDNRBEDNRAPPARGLMNA
SCHEMBL2806631 0.87 SERPINE1 (0.49) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2811736 0.86 SERPINE1 (0.51) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2811734 0.86 SERPINE1 (0.51) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2810026 0.86 SERPINE1 (0.51) SERPINE1EDNRBEDNRAPPARGFOLH1
SCHEMBL2811861 0.85 SERPINE1 (0.47) 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 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 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.