SCHEMBL5106147

SCHEMBL5106147

CC(C)Oc1cc(COc2ccc(Cl)cc2Cl)cc(COc2nn(-c3ccccc3)cc2CCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.46
FFAR4 Q5NUL3 2/20 0.45
PPARG P37231 5/20 0.42
PTGDR Q13258 1/20 0.40
FFAR1 O14842 2/20 0.40
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
PTGER1 P34995 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL5120342 0.89 FFAR4 (0.48) P2RX3FFAR4PPARGPTGDRFFAR1
SCHEMBL5106954 0.82 PPARG (0.49) P2RX3FFAR4PPARGFFAR1PTGER1
SCHEMBL5112547 0.79 PPARG (0.46) P2RX3FFAR4PPARGFFAR1CYP1A2
SCHEMBL5106677 0.77 PPARG (0.51) P2RX3FFAR4PPARGPTGDRFFAR1
SCHEMBL5109286 0.76 PPARG (0.56) P2RX3FFAR4PPARGFFAR1MRGPRX4
SCHEMBL5118952 0.74 PPARG (0.47) P2RX3FFAR4PPARGFFAR1MRGPRX4
SCHEMBL5118921 0.73 MRGPRX4 (0.61) FFAR4CYP1A2CYP2C9CYP2C19MRGPRX4
SCHEMBL5113860 0.73 PPARG (0.52) P2RX3FFAR4PPARGFFAR1
SCHEMBL5114324 0.72 MAPT (0.44) FFAR4PPARGFFAR1PTGER1CYP1A2
SCHEMBL5112205 0.72 MAPT (0.43) FFAR4PPARGFFAR1PTGER1CYP1A2

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 P2RX3 746/4885FFAR4 91/4885PPARG 52/4885

“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.