SCHEMBL5377697

SCHEMBL5377697

O=C(O)CCc1cn(Cc2ccc(OCc3coc(-c4ccccc4)n3)cc2)nc1-c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.61
PPARA Q07869 6/20 0.46
PPARG P37231 5/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AKR1B1 P15121 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL5379026 0.90 FFAR1 (0.48) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL6589710 0.89 FFAR1 (0.50) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5385319 0.89 PPARA (0.49) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL6589707 0.88 FFAR1 (0.49) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5383106 0.86 FFAR1 (0.47) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL7546657 0.85 PPARA (0.46) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5382440 0.85 FFAR1 (0.62) FFAR1PPARAPPARG
SCHEMBL5376806 0.84 FFAR1 (0.48) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5385326 0.84 FFAR1 (0.49) FFAR1PPARAPPARGKDM4EALDH1A1
SCHEMBL5397484 0.83 FFAR1 (0.48) FFAR1PPARAPPARGKDM4EALDH1A1

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 14 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 claimed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP claimed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP claimed
US-20040077689-A1 Abc expression promoters TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US claimed
EP-1382336-A1 ABC EXPRESSION PROMOTERS Takeda Chemical Industries, Ltd. (JP) 2004-01-21 EP claimed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP claimed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 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
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 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
US-20040077689-A1 Abc expression promoters TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
EP-1382336-A1 ABC EXPRESSION PROMOTERS Takeda Chemical Industries, Ltd. (JP) 2004-01-21 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-20040077689-A1 Abc expression promoters SREBF1, SREBF2, ABCB4 FFAR1 1498/4885PPARA 355/4885PPARG 189/4885

“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.