SCHEMBL6035525

SCHEMBL6035525

CCOc1nn(-c2ccc(C(F)(F)F)cn2)cc1CCCOc1ccc(CCC(=O)O)c(OCc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.39
PPARA Q07869 6/20 0.39
PPARD Q03181 4/20 0.39
PSEN1 P49768 4/20 0.39
ALOX5 P09917 3/20 0.39
PTGES O14684 2/20 0.39
FFAR1 O14842 5/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL6036027 0.97 PPARG (0.39) PPARGPPARAPPARDPSEN1ALOX5
SCHEMBL6036377 0.94 PPARG (0.38) PPARGPPARAPPARDPSEN1ALOX5
SCHEMBL1633062 0.93 PPARG (0.41) PPARGPPARAPPARDFFAR1
SCHEMBL6035713 0.92 PPARG (0.43) PPARGPPARAPPARDALOX5PTGES
SCHEMBL6036277 0.91 PPARG (0.41) PPARGPPARAPPARDALOX5PTGES
SCHEMBL6035183 0.91 PPARG (0.41) PPARGPPARAPPARDFFAR1
SCHEMBL6036434 0.91 PPARG (0.40) PPARGPPARAPPARDPSEN1ALOX5
SCHEMBL6034574 0.90 PPARG (0.43) PPARGPPARAPPARDFFAR1
SCHEMBL6035914 0.90 PPARG (0.43) PPARGPPARAPPARDFFAR1
SCHEMBL6035121 0.89 PPARG (0.41) PPARGPPARAPPARDFFAR1

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 PPARG 1037/4885PPARA 1717/4885PPARD 2488/4885

“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.