SCHEMBL4332646

SCHEMBL4332646

CCCCc1ccc(COC(=O)NCc2cccc(CC(OC(C)C)C(=O)O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.44
PPARA Q07869 4/20 0.44
TGM2 P21980 1/20 0.42
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
PLAU P00749 1/20 0.40
NAAA Q02083 1/20 0.39
ASAH1 Q13510 1/20 0.39
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
TPSAB1 Q15661 2/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 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
SCHEMBL4332639 1.00 PPARG (0.44) PPARGPPARATGM2ITGB3ITGAV
SCHEMBL4329382 0.90 MAPT (0.47) PPARGPPARAITGB3ITGAVPLAU
SCHEMBL4329379 0.90 MAPT (0.47) PPARGPPARAITGB3ITGAVPLAU
SCHEMBL4339677 0.88 GAA (0.45) PPARGPPARAPLAUCTSLCTSS
SCHEMBL4339680 0.88 GAA (0.45) PPARGPPARAPLAUCTSLCTSS
SCHEMBL4339692 0.87 PPARG (0.45) PPARGPPARAPLAUALDH1A1MAPT
SCHEMBL4329078 0.87 PPARA (0.45) PPARGPPARAPLAU
SCHEMBL4334159 0.87 MEN1 (0.44) PPARGPPARAPLAUCTSLCTSS
SCHEMBL4334148 0.87 MEN1 (0.44) PPARGPPARAPLAUCTSLCTSS
SCHEMBL4342511 0.87 PPARA (0.45) PPARGPPARAPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 PPARG 379/4885PPARA 339/4885TGM2 3599/4885

“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.