SCHEMBL6160420

SCHEMBL6160420

CCOc1nn(Cc2ccc(OCc3nc(-c4cccs4)oc3C)c(OC)c2)cc1CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.48
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.46
PPARG P37231 7/20 0.44
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
FFAR1 O14842 1/20 0.40
PPARD Q03181 3/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TNFRSF1A P19438 1/20 0.36
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 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
SCHEMBL5378957 0.94 TSHR (0.46) PPARATSHRUSP2PPARGMAPT
SCHEMBL5374354 0.89 FFAR1 (0.52) PPARAPPARGMAPTFFAR1PPARD
SCHEMBL5374347 0.89 PPARA (0.59) PPARAPPARGFFAR1PPARDKDM4E
SCHEMBL5381174 0.87 FFAR1 (0.53) PPARAPPARGMAPTFFAR1PPARD
SCHEMBL5385650 0.87 PPARG (0.50) PPARATSHRUSP2PPARGMAPT
SCHEMBL5376777 0.85 FFAR1 (0.54) PPARAPPARGMAPTFFAR1PPARD
SCHEMBL5371987 0.84 FFAR1 (0.45) PPARATSHRUSP2PPARGMAPT
SCHEMBL6157599 0.82 PPARA (0.54) PPARATSHRPPARGMAPTFFAR1
SCHEMBL5387682 0.81 FFAR1 (0.46) PPARATSHRUSP2PPARGMAPT
SCHEMBL5385603 0.81 PPARG (0.49) PPARATSHRUSP2PPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 266/4885TSHR 412/4885USP2 4770/4885

“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.