SCHEMBL4336339

SCHEMBL4336339

CC(C)O[C@@H](Cc1cccc(CNC(=O)OCc2ccc(C(C)(C)O)cc2)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.40
PPARG P37231 3/20 0.40
PLAU P00749 1/20 0.40
NAMPT P43490 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC3 O15379 1/20 0.39
PPARD Q03181 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TPSAB1 Q15661 2/20 0.38
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
CARM1 Q86X55 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4336335 1.00 PPARA (0.40) PPARAPPARGPLAUNAMPTHDAC1
SCHEMBL4328962 0.90 PPARA (0.48) PPARAPPARGPPARDPTGDR2
SCHEMBL4328968 0.90 PPARA (0.48) PPARAPPARGPPARDPTGDR2
SCHEMBL4329379 0.90 MAPT (0.47) PPARAPPARGPLAUNAMPTHDAC1
SCHEMBL4329382 0.90 MAPT (0.47) PPARAPPARGPLAUNAMPTHDAC1
SCHEMBL4339680 0.88 GAA (0.45) PPARAPPARGPLAUNAMPTPPARD
SCHEMBL4339677 0.88 GAA (0.45) PPARAPPARGPLAUNAMPTPPARD
SCHEMBL4339692 0.87 PPARG (0.45) PPARAPPARGPLAUPPARDTPSAB1
SCHEMBL4334159 0.87 MEN1 (0.44) PPARAPPARGPLAUPPARDTPSAB1
SCHEMBL4329078 0.87 PPARA (0.45) PPARAPPARGPLAUPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US claimed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP claimed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
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 PPARA 339/4885PPARG 379/4885PLAU 4684/4885

“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.