SCHEMBL6034664

SCHEMBL6034664

O=C(O)c1ccc(OCCCc2cc(-c3ccc(C(F)(F)F)cc3)no2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 4/20 0.53
TSPO P30536 2/20 0.52
CYP2C9 P11712 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
PPARD Q03181 2/20 0.48
HRH1 P35367 1/20 0.48
OPRD1 P41143 1/20 0.48
FFAR1 O14842 1/20 0.44
NR4A2 P43354 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
SRD5A2 P31213 1/20 0.43
SMPD1 P17405 1/20 0.42
MCL1 Q07820 1/20 0.42
RARB P10826 2/20 0.42

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
SCHEMBL6034453 0.97 P2RY14 (0.52) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL6035663 0.89 P2RY14 (0.49) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL6035653 0.88 PPARD (0.50) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL6034613 0.87 FFAR1 (0.58) PPARDFFAR1
SCHEMBL14269432 0.85 PPARD (0.45) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL6034590 0.85 PPARD (0.49) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL6035565 0.84 FFAR1 (0.57) PPARDFFAR1
SCHEMBL6035531 0.83 PPARA (0.54) PPARD
SCHEMBL6034580 0.81 PPARD (0.48) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL6035641 0.81 PPARD (0.47) P2RY14TSPOCYP2C9TMEM97SIGMAR1

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 P2RY14 3559/4885TSPO 1258/4885CYP2C9 161/4885

“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.