SCHEMBL2808044

SCHEMBL2808044

CCOC(=O)c1c(-c2ccc(OC)nc2)c2ccccc2n1Cc1cccc(-c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.46
PTGS1 P23219 1/20 0.46
F2RL3 Q96RI0 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PABPC1 P11940 1/20 0.44
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
PLA2G2A P14555 2/20 0.43
PPARG P37231 3/20 0.42

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
SCHEMBL13168317 0.92 F2RL3 (0.44) ALOX5APPTGS1F2RL3KMT2AEDNRB
SCHEMBL2808138 0.85 SERPINE1 (0.47) KMT2AEDNRBEDNRAPLA2G2APPARG
SCHEMBL6851257 0.83 PLA2G2A (0.53) KMT2AEDNRBEDNRAPLA2G2APPARG
SCHEMBL2810080 0.83 EDNRB (0.46) ALOX5APPTGS1F2RL3KMT2AMEN1
SCHEMBL2808197 0.83 PLA2G2A (0.46) F2RL3EDNRBEDNRAPLA2G2APPARG
SCHEMBL6859336 0.78 PPARG (0.54) KMT2AMEN1EDNRBEDNRAPLA2G2A
SCHEMBL13168236 0.77 SERPINE1 (0.46) KMT2APLA2G2APPARG
SCHEMBL17600664 0.77 F2RL3 (0.59) F2RL3KMT2APLA2G2APPARG
SCHEMBL6858332 0.76 PPARG (0.50) KMT2AEDNRBEDNRAPLA2G2APPARG
SCHEMBL2805777 0.76 SERPINE1 (0.42) KMT2AMEN1EDNRBEDNRAPPARG

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 4 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 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 ALOX5AP 440/4885PTGS1 508/4885F2RL3 1132/4885

“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.