SCHEMBL5378957

SCHEMBL5378957

CCOC(=O)CCc1cn(Cc2ccc(OCc3nc(-c4cccs4)oc3C)c(OC)c2)nc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
PPARA Q07869 5/20 0.44
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
PPARG P37231 5/20 0.40
KDM4E B2RXH2 6/20 0.39
TNFRSF1A P19438 1/20 0.37
PPARD Q03181 3/20 0.37
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6160420 0.94 PPARA (0.48) TSHRUSP2PPARAMAPTHPGD
SCHEMBL5371987 0.89 FFAR1 (0.45) TSHRUSP2PPARAMAPTPPARG
SCHEMBL6157599 0.89 PPARA (0.54) TSHRPPARAMAPTPPARGKDM4E
SCHEMBL5385603 0.87 PPARG (0.49) TSHRUSP2PPARAMAPTHPGD
SCHEMBL5387682 0.87 FFAR1 (0.46) TSHRUSP2PPARAMAPTPPARG
SCHEMBL5376634 0.85 FFAR1 (0.47) PPARAMAPTPPARGPPARDSMN1; SMN2
SCHEMBL5374354 0.83 FFAR1 (0.52) PPARAMAPTPPARGPPARDSMN1; SMN2
SCHEMBL5374347 0.82 PPARA (0.59) PPARAPPARGKDM4EPPARD
SCHEMBL5381174 0.81 FFAR1 (0.53) PPARAMAPTPPARGPPARD
SCHEMBL5383048 0.81 APP (0.50) HPGDKMT2ASMN1; SMN2OPRM1RAB9A

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 TSHR 412/4885USP2 4770/4885PPARA 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.