SCHEMBL6036033

SCHEMBL6036033

CCOC(=O)CCc1ccc(OCCCc2cn(-c3ccc(C(F)(F)F)cn3)nc2OCC)c(OCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.39
PSEN1 P49768 7/20 0.38
ALOX5 P09917 6/20 0.38
PPARG P37231 4/20 0.38
PTGES O14684 2/20 0.38
APP P05067 1/20 0.38
SYK P43405 1/20 0.37
PTGER1 P34995 1/20 0.36
FFAR1 O14842 2/20 0.36
FFAR2 O15552 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6035174 0.94 FFAR4 (0.44) FFAR4PSEN1ALOX5PPARGPTGES
SCHEMBL6036377 0.89 PPARG (0.38) PSEN1ALOX5PPARGPTGESFFAR1
SCHEMBL6035720 0.88 SMN1; SMN2 (0.38) FFAR4APPSYKFFAR1FFAR2
SCHEMBL6035613 0.87 TP53 (0.41) FFAR4PPARGFFAR1FFAR2HPGD
SCHEMBL6335901 0.87 PPARD (0.49) ALOX5PPARGPTGES
SCHEMBL6035545 0.86 FFAR4 (0.39) FFAR4ALOX5PPARGPTGESFFAR1
SCHEMBL6035391 0.86 FFAR4 (0.39) FFAR4PSEN1ALOX5PPARGPTGES
SCHEMBL6035868 0.86 SMN1; SMN2 (0.43) PPARGSYKHPGDSMN1; SMN2
SCHEMBL6035403 0.85 FFAR4 (0.45) FFAR4PPARGFFAR1FFAR2
SCHEMBL6335906 0.84 FFAR1 (0.35) PSEN1ALOX5PPARGPTGESPTGER1

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 FFAR4 195/4885PSEN1 3267/4885ALOX5 1513/4885

“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.