SCHEMBL5111373

SCHEMBL5111373

CCCOc1cc(CCCOc2nn(Cc3ccccc3)cc2CC(=O)O)n(Cc2ccc(F)cc2F)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.42
PTGER1 P34995 3/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.35
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
AKR1B1 P15121 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL5112484 0.87 PPARG (0.54) PPARGPTGER1
SCHEMBL5114716 0.85 PPARD (0.41) PPARGPTGER1PTGDR2
SCHEMBL5114265 0.83 PPARG (0.60) PPARGTP53
SCHEMBL5106602 0.80 PPARG (0.61) PPARGPTGER1TP53MDM2
SCHEMBL5119244 0.80 PPARG (0.52) PPARGPTGER1
SCHEMBL5113062 0.79 PPARG (0.52) PPARG
SCHEMBL5120001 0.79 PPARG (0.56) PPARG
SCHEMBL5118819 0.79 PPARG (0.52) PPARG
SCHEMBL5113582 0.77 PPARG (0.61) PPARGPTGER1
SCHEMBL5119609 0.77 PPARG (0.68) 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 PPARG 52/4885PTGER1 2697/4885PTGDR2 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.