SCHEMBL5374347

SCHEMBL5374347

CCOc1nn(Cc2ccc(OCc3nc(-c4cccs4)oc3C)cc2)cc1CCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.59
PPARG P37231 12/20 0.53
FFAR1 O14842 3/20 0.51
PPARD Q03181 3/20 0.46
KDM4E B2RXH2 2/20 0.40

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
SCHEMBL6157599 0.93 PPARA (0.54) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL6160420 0.89 PPARA (0.48) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL5381178 0.88 FFAR1 (0.67) PPARAPPARGFFAR1
SCHEMBL5380622 0.88 FFAR1 (0.57) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL5397181 0.85 FFAR1 (0.51) PPARAPPARGFFAR1PPARD
SCHEMBL5382440 0.85 FFAR1 (0.62) PPARAPPARGFFAR1PPARD
SCHEMBL5392018 0.82 FFAR1 (0.65) PPARAPPARGFFAR1PPARD
SCHEMBL5371978 0.82 FFAR1 (0.57) PPARAPPARGFFAR1
SCHEMBL5378957 0.82 TSHR (0.46) PPARAPPARGPPARDKDM4E
SCHEMBL5381805 0.82 PPARA (0.52) PPARAPPARGFFAR1PPARDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006036007-A2 MODIFIED-RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-06 WO claimed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
WO-2006036007-A2 MODIFIED-RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-06 WO 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 PPARA 266/4885PPARG 395/4885FFAR1 2466/4885

“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.