SCHEMBL2806758

SCHEMBL2806758

CC(C)(C)c1ccc(-c2c(C(=O)O)n(Cc3cc(F)cc(F)c3)c3ccccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.63
EDNRB P24530 2/20 0.51
EDNRA P25101 2/20 0.51
FOLH1 Q04609 1/20 0.50
POLB P06746 1/20 0.46
PPARG P37231 7/20 0.44
CCR2 P41597 2/20 0.42
MDM4 O15151 1/20 0.42
MDM2 Q00987 1/20 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
SCHEMBL2806816 0.88 SERPINE1 (0.60) SERPINE1EDNRBEDNRAFOLH1PPARG
SCHEMBL2807174 0.87 SERPINE1 (0.61) SERPINE1EDNRBEDNRAFOLH1PPARG
SCHEMBL2807096 0.87 SERPINE1 (0.49) SERPINE1FOLH1PPARGMDM4MDM2
SCHEMBL2807031 0.82 SERPINE1 (0.58) SERPINE1EDNRBEDNRAFOLH1PPARG
SCHEMBL2810203 0.82 SERPINE1 (0.62) SERPINE1EDNRBEDNRAFOLH1PPARG
SCHEMBL2807015 0.82 SERPINE1 (0.62) SERPINE1EDNRBEDNRAFOLH1PPARG
Gsk-376501 SCHEMBL2813131 0.81 SERPINE1 (0.54) SERPINE1EDNRBEDNRAFOLH1PPARG
Gsk-376501 SCHEMBL29810243 0.81 SERPINE1 (0.54) SERPINE1EDNRBEDNRAFOLH1PPARG
SCHEMBL2807163 0.80 SERPINE1 (0.53) SERPINE1EDNRBEDNRAFOLH1PPARG
SCHEMBL2811879 0.80 SERPINE1 (0.55) SERPINE1EDNRBEDNRAFOLH1PPARG

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 3 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
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 4215/4885EDNRB 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.