SCHEMBL6035951

SCHEMBL6035951

Cc1ccc(OC(C)(C)C(=O)[O-])cc1OCCCc1cn(-c2ccc(C(F)(F)F)cn2)nc1C(C)C.Cc1ccc(OC(C)(C)C(=O)[O-])cc1OCCCc1cn(-c2ccc(C(F)(F)F)cn2)nc1C(C)C.[Ca+2]

nearest known ligand 0.35

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 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.35
PPARD Q03181 7/20 0.35
PPARA Q07869 7/20 0.35
ACACB O00763 1/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A5 Q9Y345 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6035955 0.92 PPARA (0.42) PPARGPPARDPPARAACACB
SCHEMBL6035623 0.88 SMN1; SMN2 (0.36) PPARGPPARDPPARASMN1; SMN2HPGD
SCHEMBL6036127 0.85 PPARA (0.39) PPARGPPARDPPARA
SCHEMBL6034652 0.85 PPARA (0.39) PPARGPPARDPPARAACACB
SCHEMBL6035559 0.81 PPARA (0.40) PPARGPPARDPPARASMN1; SMN2KDM4E
SCHEMBL6254047 0.80 CYP1A1 (0.38) PPARGPPARDPPARAACACBCNR2
SCHEMBL6036338 0.80 AKR1C3 (0.40) PPARGPPARDPPARASMN1; SMN2KDM4E
SCHEMBL6035632 0.79 PPARA (0.42) PPARGPPARDPPARASMN1; SMN2HPGD
SCHEMBL6035156 0.79 PPARA (0.40) PPARGPPARDPPARASMN1; SMN2KDM4E
SCHEMBL6035532 0.79 HSD17B10 (0.40) PPARGPPARDPPARASMN1; SMN2KDM4E

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 PPARG 1037/4885PPARD 2488/4885PPARA 1717/4885

“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.