SCHEMBL6036337

SCHEMBL6036337

COc1ccc(CC(=O)O)cc1OCc1cn(-c2ccc(C(F)(F)F)cn2)nc1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.42
FFAR1 O14842 1/20 0.39
FFAR2 O15552 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
PPARD Q03181 2/20 0.38
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
ROCK2 O75116 1/20 0.37
KMT2A Q03164 1/20 0.37
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ABL1 P00519 1/20 0.36
LMNA P02545 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
SCHEMBL6035092 0.92 PTGDR2 (0.41) PTGDR2PPARDGCGRGIPRROCK2
SCHEMBL6035233 0.85 PPARD (0.43) PTGDR2PPARDGCGRGIPRKDM4E
SCHEMBL6036208 0.85 DGAT1 (0.41) PTGDR2PPARDGCGRGIPR
SCHEMBL6035773 0.84 PTGDR2 (0.38) PTGDR2GCGRGIPRHCRTR1HCRTR2
SCHEMBL6036340 0.81 DGAT1 (0.40) PTGDR2PPARDGCGRGIPR
SCHEMBL6035906 0.78 HCRTR1 (0.40) PTGDR2PPARDGCGRGIPRHCRTR1
SCHEMBL6035524 0.78 PPARD (0.43) PTGDR2PPARDROCK2KMT2ATBXA2R
SCHEMBL6035112 0.78 PPARD (0.42) PTGDR2PPARDROCK2KMT2ATBXA2R
SCHEMBL6035586 0.78 CTSS (0.46) FFAR1FFAR4GCGRGIPR
SCHEMBL6034532 0.77 PPARD (0.43) PTGDR2FFAR1FFAR2FFAR4PPARD

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 PTGDR2 4688/4885FFAR1 376/4885FFAR2 745/4885

“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.