SCHEMBL6726294

SCHEMBL6726294

CCCOc1ccc(-c2cccc(C(C)C(=O)O)c2)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.46
TRPV1 Q8NER1 2/20 0.42
PPARD Q03181 4/20 0.42
PPARA Q07869 3/20 0.42
PTGS2 P35354 2/20 0.41

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
SCHEMBL3413782 0.82 PPARD (0.47) PPARGPPARDPPARA
SCHEMBL3419255 0.81 TRPV1 (0.48) PPARGTRPV1PPARDPPARAPTGS2
SCHEMBL3413160 0.80 PPARG (0.44) PPARGPPARDPPARA
SCHEMBL3415962 0.79 PPARD (0.58) PPARGPPARDPPARA
SCHEMBL6726299 0.78 PTGS2 (0.42) PTGS2
SCHEMBL3418866 0.78 PPARD (0.54) PPARGPPARDPPARA
SCHEMBL3418523 0.77 PPARD (0.53) PPARGPPARDPPARA
SCHEMBL3416129 0.77 PPARD (0.49) PPARGPPARDPPARA
SCHEMBL3419423 0.76 PPARD (0.49) PPARGPPARDPPARA
SCHEMBL3414069 0.76 PPARG (0.40) PPARGPPARDPPARAPTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR PPARG 238/4885TRPV1 3091/4885PPARD 689/4885

“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.