SCHEMBL6035573

SCHEMBL6035573

CCOC(=O)CCc1cn(-c2ccc(C(F)(F)F)cc2)nc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.41
FPR2 P25090 2/20 0.40
MLYCD O95822 3/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
TRPM2 O94759 1/20 0.38
EPHX2 P34913 1/20 0.37
TRPA1 O75762 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADORA1 P30542 1/20 0.36
PPARG P37231 1/20 0.36
DGAT1 O75907 1/20 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
SCHEMBL6034597 0.86 SMN1; SMN2 (0.47) FPR2NPC1RAB9ALMNAALDH1A1
SCHEMBL6035551 0.84 CYP4F2 (0.41) DDX3XFPR2CYP4F2CYP4A11NPC1
SCHEMBL6035283 0.83 L3MBTL1 (0.41) FPR2CYP4F2CYP4A11ALDH1A1POLB
SCHEMBL4098493 0.83 PPARD (0.40) NPC1RAB9APPARG
SCHEMBL6035293 0.80 NPSR1 (0.47) MLYCDNPC1RAB9ALMNAALDH1A1
SCHEMBL6035870 0.80 SYK (0.40) DDX3XCYP4F2CYP4A11LMNAEPHX2
SCHEMBL6035140 0.79 EPHX2 (0.40) DDX3XCYP4F2CYP4A11LMNAEPHX2
SCHEMBL6034578 0.78 TLR8 (0.44) TRPA1
SCHEMBL4095608 0.78 PPARD (0.38) PPARGDGAT1
SCHEMBL6035692 0.78 CYP4F2 (0.34) DDX3XCYP4F2CYP4A11LMNAEPHX2

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 2 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
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 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 DDX3X 2442/4885FPR2 1709/4885MLYCD 962/4885

“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.