SCHEMBL5702292

SCHEMBL5702292

CCCCN(CCCOc1cccc(CC(=O)O)c1)c1nc2ccccc2o1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.69
PPARD Q03181 18/20 0.66
PPARG P37231 16/20 0.66

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
SCHEMBL5579458 0.87 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL5276147 0.85 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL5273484 0.83 PPARA (0.59) PPARAPPARDPPARG
SCHEMBL5276321 0.83 PPARA (0.59) PPARAPPARDPPARG
SCHEMBL5275997 0.83 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL5273452 0.83 PPARA (0.58) PPARAPPARDPPARG
SCHEMBL14583362 0.82 PPARA (1.00) PPARAPPARDPPARG
SCHEMBL5276145 0.82 PPARA (0.59) PPARAPPARDPPARG
SCHEMBL2439016 0.81 PPARA (0.81) PPARAPPARDPPARG
SCHEMBL2438126 0.81 PPARA (0.81) PPARAPPARDPPARG

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
EP-1613326-B1 (3-{3-'(2,4-BIS-TRIFLUORMETHYL-BENZYL)-(5-ETHYL-PYRIMIDIN-2-YL)-AMINO]-PROPOXY}-PHENYL)-ACETIC ACID AND RELATED COMPOUNDS AS MODULATORS OF PPARS AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS INC (US) 2006-09-13 EP disclosed
US-20050070532-A1 Aryl compounds as modulators of PPARS and methods of treating metabolic disorders KALYPSYS, INC. 2005-03-31 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-20050070532-A1 Aryl compounds as modulators of PPARS and methods of treating metabolic disorders PPARG, PPARA, PPARD PPARA 2/4885PPARD 3/4885PPARG 1/4885

“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.