SCHEMBL5023340

SCHEMBL5023340

Cn1nc(-c2ccc(F)c(C(F)(F)F)c2)cc1COc1ccc2ccn(CC(=O)O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.45
PPARA Q07869 8/20 0.45
PPARG P37231 4/20 0.44
GRIN2B Q13224 8/20 0.44
TRPA1 O75762 1/20 0.41
KMO O15229 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
SCHEMBL5023355 0.90 GRIN2B (0.44) PPARDPPARAPPARGGRIN2BTRPA1
SCHEMBL5023230 0.88 PPARD (0.55) PPARDPPARAPPARGGRIN2B
SCHEMBL5016882 0.86 PPARD (0.45) PPARDPPARAPPARGTRPA1
SCHEMBL5016786 0.85 MCL1 (0.51) PPARDPPARAPPARGKMO
SCHEMBL5023828 0.83 MCL1 (0.46) PPARDPPARAPPARG
SCHEMBL5016851 0.80 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL5022823 0.80 PPARD (0.50) PPARDPPARAPPARG
SCHEMBL5023263 0.79 PPARD (0.54) PPARDPPARAPPARGTRPA1
SCHEMBL5016787 0.79 PPARD (0.53) PPARDPPARAPPARGGRIN2B
SCHEMBL5022734 0.79 PPARG (0.49) PPARDPPARAPPARG

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
EP-1725546-B1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-7265149-B2 Indolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
EP-1725546-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 US 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-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG PPARD 1/4885PPARA 2/4885PPARG 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.