SCHEMBL5113582

SCHEMBL5113582

CC(C)Oc1cc(CCCOc2nn(Cc3ccccc3)cc2CC(=O)O)n(Cc2ccc(Cl)cc2OC(C)C)n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.61
P2RX3 P56373 2/20 0.39
PTGER1 P34995 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5119609 0.94 PPARG (0.68) PPARG
SCHEMBL5112960 0.93 PPARG (0.58) PPARGPTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL5114265 0.88 PPARG (0.60) PPARG
SCHEMBL5113004 0.87 PPARG (0.66) PPARGP2RX3
SCHEMBL5114862 0.86 PPARG (0.67) PPARG
SCHEMBL5121479 0.85 PPARG (0.49) PPARG
SCHEMBL5120001 0.84 PPARG (0.56) PPARG
SCHEMBL5112484 0.84 PPARG (0.54) PPARGPTGER1
SCHEMBL5109947 0.83 PPARG (0.70) PPARG
SCHEMBL5114191 0.82 PPARG (0.88) PPARGP2RX3PTGER1

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 52/4885P2RX3 746/4885PTGER1 2697/4885

“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.