SCHEMBL6035258

SCHEMBL6035258

CCOc1ccc(CC(=O)O)cc1OCCCc1cn(-c2ccc(C(F)(F)F)cn2)nc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.40
PPARA Q07869 15/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
NR3C1 P04150 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
PPARG P37231 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6035776 0.93 PPARD (0.39) PPARDPPARANR1H2NR1H3
SCHEMBL6034532 0.93 PPARD (0.43) PPARDPPARANR1H2NR1H3SMN1; SMN2
SCHEMBL6036114 0.89 PPARD (0.42) PPARDPPARA
SCHEMBL6035664 0.88 PPARD (0.41) PPARDPPARATP53MAPTRXRA
SCHEMBL6036423 0.88 PPARD (0.40) PPARDPPARATP53MAPTRXRA
SCHEMBL6035886 0.86 FFAR4 (0.45) PPARDPPARANR1H2NR1H3CYP2C9
SCHEMBL6036184 0.86 FFAR4 (0.45) PPARDPPARANR1H2NR1H3CYP2C9
SCHEMBL6034463 0.85 PPARD (0.43) PPARDPPARANR1H2NR1H3SMN1; SMN2
SCHEMBL6036306 0.85 NR1H3 (0.39) PPARDPPARAMAPTRXRANR1H2
SCHEMBL6035119 0.84 SMN1; SMN2 (0.40) PPARDPPARARXRARXRBRXRG

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 PPARD 2488/4885PPARA 1717/4885TP53 4683/4885

“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.