SCHEMBL6035871

SCHEMBL6035871

CS(=O)(=O)OCCCc1cc(-c2ccc(C(F)(F)F)cc2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.44
P2RY14 Q15391 4/20 0.41
CYP2C9 P11712 3/20 0.41
TSPO P30536 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
CDK2 P24941 1/20 0.39
AKT1 P31749 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HRH1 P35367 1/20 0.38
OPRD1 P41143 1/20 0.38
MAPT P10636 3/20 0.38
MAOB P27338 2/20 0.37
PTGS2 P35354 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 3/20 0.36

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
SCHEMBL6035135 0.97 PPARD (0.43) PPARDP2RY14CYP2C9TSPOTMEM97
SCHEMBL1221187 0.85 PPARD (0.47) PPARDP2RY14CYP2C9TSPOTMEM97
SCHEMBL6035875 0.79 P2RY14 (0.44) PPARDP2RY14CYP2C9TSPOTMEM97
SCHEMBL6035139 0.78 P2RY14 (0.44) PPARDP2RY14CYP2C9TSPOTMEM97
SCHEMBL6034581 0.77 P2RY14 (0.51) PPARDP2RY14CYP2C9TSPOTMEM97
SCHEMBL3227658 0.77 KCNH2 (0.43) PPARDP2RY14CYP2C9TSPOTMEM97
SCHEMBL6036244 0.76 P2RY14 (0.50) PPARDP2RY14CYP2C9TSPOTMEM97
SCHEMBL6036308 0.76 P2RY14 (0.47) PPARDP2RY14CYP2C9TSPOTMEM97
SCHEMBL6034664 0.76 P2RY14 (0.53) PPARDP2RY14CYP2C9TSPOTMEM97
SCHEMBL4178488 0.74 HDAC3 (0.55) PPARDALDH1A1NPC1RAB9AMAPT

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 PPARD 2488/4885P2RY14 3559/4885CYP2C9 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.