SCHEMBL6035703

SCHEMBL6035703

CCOc1nn(-c2ccc(C(F)(F)F)cc2)cc1CCCOc1cccc(OC(C)(C)C(=O)[O-])c1.CCOc1nn(-c2ccc(C(F)(F)F)cc2)cc1CCCOc1cccc(OC(C)(C)C(=O)[O-])c1.[Ca+2]

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 1/20 0.34
DGAT1 O75907 5/20 0.37
TRPA1 O75762 4/20 0.36
PPARA Q07869 7/20 0.36
PPARD Q03181 5/20 0.36
PPARG P37231 3/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6034475 0.93 DGAT1 (0.40) DGAT1PPARAPPARGL3MBTL1
SCHEMBL6035708 0.91 PPARA (0.43) DGAT1PPARAPPARDPPARG
SCHEMBL6035774 0.91 AURKA (0.35) PPARAPPARDPPARGMAPK1L3MBTL1
SCHEMBL6035144 0.90 PPARG (0.35) PPARAPPARDPPARGMAPK1L3MBTL1
SCHEMBL6034583 0.88 SMN1; SMN2 (0.39) DGAT1PPARAPPARDPPARGMAPK1
SCHEMBL6034648 0.87 DGAT1 (0.35) DGAT1PPARAPPARDPPARGMAPK1
SCHEMBL6034824 0.85 PPARG (0.34) DGAT1TRPA1PPARAPPARDPPARG
SCHEMBL6034478 0.83 PPARA (0.41) DGAT1PPARAPPARDPPARGL3MBTL1
SCHEMBL6035564 0.82 PLA2G4B (0.42) DGAT1PPARAPPARDPPARG
SCHEMBL1634400 0.82 PPARA (0.40) PPARAPPARDPPARGMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 PTGS2 4593/4885DGAT1 1683/4885TRPA1 2893/4885

“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.