SCHEMBL5376840

SCHEMBL5376840

CCOc1nn(Cc2ccccc2OCc2nc(-c3ccccc3)oc2C)cc1CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.53
PPARG P37231 15/20 0.44
PPARA Q07869 14/20 0.44
PPARD Q03181 5/20 0.44
KDM4E B2RXH2 1/20 0.42
KDR P35968 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
SCHEMBL5376749 0.94 FFAR1 (0.45) FFAR1PPARGPPARAPPARDKDM4E
SCHEMBL5376777 0.89 FFAR1 (0.54) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5381178 0.88 FFAR1 (0.67) FFAR1PPARGPPARAKDR
SCHEMBL5381174 0.87 FFAR1 (0.53) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5374354 0.87 FFAR1 (0.52) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5372009 0.86 FFAR1 (0.51) FFAR1PPARGPPARAPPARDKDM4E
SCHEMBL5376885 0.85 FFAR1 (0.56) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5380727 0.85 FFAR1 (0.50) FFAR1PPARGPPARAPPARDKDR
SCHEMBL5387602 0.85 KDR (0.58) FFAR1PPARGPPARAKDR
SCHEMBL5391988 0.85 FFAR1 (0.54) FFAR1PPARGPPARA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
US-20050014813-A1 Process for production of pyrazole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-01-20 US disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1445254-A1 PROCESS FOR PRODUCTION OF PYRAZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-08-11 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 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-20050014813-A1 Process for production of pyrazole compounds REN, CYP11B1, CYP11B2 FFAR1 2466/4885PPARG 395/4885PPARA 266/4885

“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.