SCHEMBL4328962

SCHEMBL4328962

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.48
PPARG P37231 8/20 0.47
PPARD Q03181 5/20 0.46
MGLL Q99685 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
CTSL P07711 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL4328968 1.00 PPARA (0.48) PPARAPPARGPPARDMGLLPTGDR2
SCHEMBL4343488 0.92 PTGDR2 (0.45) PPARAPPARGPPARDMGLLPTGDR2
SCHEMBL4343482 0.92 PTGDR2 (0.45) PPARAPPARGPPARDMGLLPTGDR2
SCHEMBL4329702 0.92 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL4337913 0.92 PPARA (0.47) PPARAPPARGPPARD
SCHEMBL4338069 0.91 PPARA (0.51) PPARAPPARGPPARDCTSLCTSK
SCHEMBL13810612 0.91 PPARA (0.51) PPARAPPARGPPARDCTSLCTSK
SCHEMBL4336339 0.90 PPARA (0.40) PPARAPPARGPPARDPTGDR2
SCHEMBL4336335 0.90 PPARA (0.40) PPARAPPARGPPARDPTGDR2
SCHEMBL4339692 0.89 PPARG (0.45) PPARAPPARGPPARDMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-10 US claimed
EP-1607103-A1 CONCOMITANT DRUG AS THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Eisai Co., Ltd. (JP) 2005-12-21 EP claimed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US 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-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-10 US disclosed
EP-1607103-A1 CONCOMITANT DRUG AS THERAPEUTIC AGENT FOR INFLAMMATORY BOWEL DISEASE Eisai Co., Ltd. (JP) 2005-12-21 EP 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 (2 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 379/4885PPARD 753/4885
US-20060177444-A1 Concomitant drug as therapeutic agent for inflammatory bowel disease PPARG, PPARA, NR3C1 PPARA 2/4885PPARG 1/4885PPARD 4/4885

“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.