SCHEMBL2808138

SCHEMBL2808138

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.47
PPARG P37231 7/20 0.45
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
PLA2G2A P14555 2/20 0.42
KMT2A Q03164 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC1 Q13547 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
NR4A2 P43354 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL13168236 0.92 SERPINE1 (0.46) SERPINE1PPARGPLA2G2AKMT2A
SCHEMBL2808240 0.91 SERPINE1 (0.57) SERPINE1PPARGEDNRBEDNRAHDAC6
SCHEMBL2805777 0.90 SERPINE1 (0.42) SERPINE1PPARGEDNRBEDNRAKMT2A
SCHEMBL13168309 0.90 SERPINE1 (0.49) SERPINE1PPARGPLA2G2AKMT2A
SCHEMBL2808118 0.87 SERPINE1 (0.49) SERPINE1PPARGPLA2G2AHDAC6HDAC1
SCHEMBL2808044 0.85 ALOX5AP (0.46) PPARGEDNRBEDNRAPLA2G2AKMT2A
SCHEMBL2810329 0.85 SERPINE1 (0.42) SERPINE1PPARGEDNRBEDNRAKMT2A
SCHEMBL2808197 0.85 PLA2G2A (0.46) PPARGEDNRBEDNRAPLA2G2AKDM4E
SCHEMBL6851257 0.84 PLA2G2A (0.53) PPARGEDNRBEDNRAPLA2G2AKMT2A
SCHEMBL2806962 0.84 CYP19A1 (0.46) SERPINE1PPARG

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 SERPINE1 4215/4885PPARG 3/4885EDNRB 452/4885

“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.