SCHEMBL6036244

SCHEMBL6036244

OCCCCc1cc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 5/20 0.50
TSPO P30536 2/20 0.48
CYP2C9 P11712 1/20 0.48
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
NOTUM Q6P988 3/20 0.46
HRH1 P35367 1/20 0.44
OPRD1 P41143 1/20 0.44
PPARD Q03181 1/20 0.44
CDK2 P24941 1/20 0.43
AKT1 P31749 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
DRD3 P35462 5/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL6034581 0.96 P2RY14 (0.51) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL2120020 0.84 NOTUM (0.64) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL6035875 0.83 P2RY14 (0.44) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL6035139 0.82 P2RY14 (0.44) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL837204 0.81 NOTUM (0.68) NOTUMDRD2DRD4DRD3
SCHEMBL6035135 0.78 PPARD (0.43) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL1219816 0.78 NOTUM (0.47) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL11484346 0.78 P2RY14 (0.47) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL2904708 0.78 NOTUM (0.64) P2RY14TSPOCYP2C9TMEM97SIGMAR1
SCHEMBL6034453 0.77 P2RY14 (0.52) 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 4 patents. 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
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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-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.