SCHEMBL5109403

SCHEMBL5109403

COc1cccc(CC(=O)O)c1OCCCc1cc(OC(C)C)nn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.72
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
PTGDR2 Q9Y5Y4 13/20 0.39
TBXA2R P21731 3/20 0.39
PTGDR Q13258 3/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PTGIR P43119 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
SCHEMBL5112256 0.91 PPARG (0.79) PPARG
SCHEMBL5119377 0.91 PPARG (0.82) PPARGPTGDR2
SCHEMBL5114403 0.90 PPARG (0.58) PPARGPPARDPPARAPTGDR2TBXA2R
SCHEMBL5119547 0.87 PPARG (0.81) PPARG
SCHEMBL5114487 0.86 PPARG (0.87) PPARG
SCHEMBL5112392 0.85 PPARG (0.83) PPARG
SCHEMBL5112360 0.85 PPARG (0.77) PPARG
SCHEMBL5113706 0.85 PPARG (0.87) PPARG
SCHEMBL5234837 0.84 PPARG (0.90) PPARG
SCHEMBL5112208 0.84 PPARG (0.76) PPARGPTGDR2

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-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PPARG 52/4885PPARD 189/4885PPARA 118/4885

“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.