SCHEMBL2809832

SCHEMBL2809832

O=C(O)c1c(Cc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1cc(OCCn2cccc2)cc(OCC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.43
EDNRA P25101 4/20 0.43
PPARG P37231 5/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 2/20 0.39
MCL1 Q07820 1/20 0.39
FOLH1 Q04609 4/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK10 P53779 1/20 0.37
PTGER4 P35408 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
SCHEMBL2809341 0.93 EDNRB (0.46) EDNRBEDNRAPPARGKMT2AMEN1
SCHEMBL2811675 0.90 EDNRB (0.45) EDNRBEDNRAPPARGKMT2AMEN1
SCHEMBL13131816 0.88 EDNRB (0.44) EDNRBEDNRAPPARGKMT2AKDM4E
SCHEMBL2810129 0.87 EDNRB (0.43) EDNRBEDNRAPPARGKMT2AMEN1
Hydrochloric Acid SCHEMBL2810715 0.87 EDNRB (0.43) EDNRBEDNRAPPARGKMT2AKDM4E
SCHEMBL2809029 0.82 PPARG (0.50) EDNRBEDNRAPPARGKMT2AMEN1
SCHEMBL2809209 0.79 EDNRB (0.40) EDNRBEDNRAPPARGKMT2AALDH1A1
SCHEMBL2809099 0.78 PPARG (0.42) EDNRBEDNRAPPARGKMT2AALDH1A1
SCHEMBL2809965 0.72 SERPINE1 (0.49) EDNRBEDNRAPPARGFOLH1
SCHEMBL2807163 0.69 SERPINE1 (0.53) EDNRBEDNRAPPARGFOLH1

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 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
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 EDNRB 452/4885EDNRA 211/4885PPARG 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.