SCHEMBL5387602

SCHEMBL5387602

CCOc1nn(Cc2cccc(OCc3nc(-c4ccccc4)oc3C)c2)cc1CCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.58
FFAR1 O14842 1/20 0.56
PPARG P37231 18/20 0.50
PPARA Q07869 17/20 0.50
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL5383071 0.94 KDR (0.56) KDRFFAR1PPARGPPARA
SCHEMBL5381178 0.91 FFAR1 (0.67) KDRFFAR1PPARGPPARA
SCHEMBL5377349 0.91 FFAR1 (0.55) KDRFFAR1PPARGPPARA
SCHEMBL5376777 0.89 FFAR1 (0.54) KDRFFAR1PPARGPPARA
SCHEMBL5377073 0.88 FFAR1 (0.51) KDRFFAR1PPARGPPARA
SCHEMBL5381174 0.88 FFAR1 (0.53) KDRFFAR1PPARGPPARA
SCHEMBL5374354 0.87 FFAR1 (0.52) KDRFFAR1PPARGPPARA
SCHEMBL5376948 0.86 FFAR1 (0.67) KDRFFAR1PPARGPPARA
SCHEMBL5380550 0.86 FFAR1 (0.69) KDRFFAR1PPARGPPARA
SCHEMBL5410288 0.86 FFAR1 (0.67) KDRFFAR1PPARGPPARA

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 KDR 2304/4885FFAR1 2466/4885PPARG 395/4885

“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.