SCHEMBL5376759

SCHEMBL5376759

CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4ccco4)oc3C)cc2)nc1OCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
ADORA2A P29274 4/20 0.39
PPARG P37231 10/20 0.38
PPARA Q07869 9/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA1 P30542 1/20 0.36

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
SCHEMBL5382046 0.94 FFAR1 (0.44) FFAR1ALDH1A1MAPTTSHRADORA2A
SCHEMBL5397181 0.93 FFAR1 (0.51) FFAR1ALDH1A1MAPTTSHRPPARG
SCHEMBL5379347 0.92 FFAR1 (0.43) FFAR1ALDH1A1MAPTTSHRADORA2A
SCHEMBL5376884 0.90 FFAR1 (0.40) FFAR1ALDH1A1MAPTTSHRADORA2A
SCHEMBL5385612 0.89 PPARG (0.36) FFAR1ALDH1A1MAPTTSHRADORA2A
SCHEMBL5385603 0.89 PPARG (0.49) ALDH1A1MAPTTSHRADORA2APPARG
SCHEMBL5371978 0.88 FFAR1 (0.57) FFAR1MAPTPPARGPPARA
SCHEMBL5385345 0.87 PPARG (0.43) FFAR1ALDH1A1MAPTTSHRADORA2A
SCHEMBL5380318 0.86 FFAR1 (0.53) FFAR1ADORA2APPARGPPARAADORA1
SCHEMBL6157599 0.86 PPARA (0.54) FFAR1ALDH1A1MAPTTSHRPPARG

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 2466/4885ALDH1A1 1132/4885MAPT 3991/4885

“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.