SCHEMBL4339680

SCHEMBL4339680

Cc1ccc(COC(=O)NCc2cccc(C[C@H](OC(C)C)C(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PLAU P00749 1/20 0.42
PPARG P37231 3/20 0.42
PPARA Q07869 3/20 0.42
PPARD Q03181 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TPSAB1 Q15661 2/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
KCNA5 P22460 1/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CTSS P25774 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL4339677 1.00 GAA (0.45) GAAMAPTHTTPLAUPPARG
SCHEMBL4329379 0.92 MAPT (0.47) MAPTPLAUPPARGPPARAL3MBTL1
SCHEMBL4329382 0.92 MAPT (0.47) MAPTPLAUPPARGPPARAL3MBTL1
SCHEMBL4342511 0.91 PPARA (0.45) PLAUPPARGPPARAPPARDCTSK
SCHEMBL4334148 0.91 MEN1 (0.44) MAPTPLAUPPARGPPARAPPARD
SCHEMBL4329078 0.91 PPARA (0.45) PLAUPPARGPPARAPPARDCTSK
SCHEMBL4339692 0.91 PPARG (0.45) MAPTPLAUPPARGPPARAPPARD
SCHEMBL4334159 0.91 MEN1 (0.44) MAPTPLAUPPARGPPARAPPARD
SCHEMBL4327301 0.90 TACR1 (0.39) PLAUPPARGPPARAPPARDL3MBTL1
SCHEMBL4334671 0.90 NPC1 (0.50) PLAUPPARGPPARAPPARD

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 5 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-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 GAA 2303/4885MAPT 4654/4885HTT 3749/4885

“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.