SCHEMBL5114716

SCHEMBL5114716

CCCOc1cc(CCCOc2nn(Cc3ccccc3)cc2CC(=O)O)n(Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.41
PPARA Q07869 5/20 0.41
PTGDR2 Q9Y5Y4 9/20 0.38
PPARG P37231 4/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGER1 P34995 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
SCHEMBL5111373 0.85 PPARG (0.42) PTGDR2PPARGPTGER1
SCHEMBL5112484 0.84 PPARG (0.54) PPARGPTGER1
SCHEMBL5121479 0.83 PPARG (0.49) PPARDPPARAPTGDR2PPARG
SCHEMBL5114403 0.81 PPARG (0.58) PPARDPPARAPTGDR2PPARG
SCHEMBL5105449 0.80 PPARG (0.49) PPARDPPARAPTGDR2PPARG
SCHEMBL5113068 0.77 PPARG (0.39) PTGDR2PPARGPTGESALOX5
SCHEMBL5119244 0.77 PPARG (0.52) PPARGPTGER1
SCHEMBL28771360 0.77 PPARG (0.47) PTGDR2PPARGPTGESALOX5
SCHEMBL3205522 0.77 PTGDR2 (0.47) PTGDR2PPARGPTGESALOX5
SCHEMBL5113062 0.77 PPARG (0.52) PPARG

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 PPARD 189/4885PPARA 118/4885PTGDR2 2631/4885

“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.