SCHEMBL4337108

SCHEMBL4337108

COc1ccc(NC(=O)OCc2ccc(OC(F)(F)F)cc2)cc1CC(OC(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.45
PPARD Q03181 3/20 0.45
PPARG P37231 2/20 0.45
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABL1 P00519 5/20 0.39
KCNH2 Q12809 1/20 0.38
FPR2 P25090 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL4342736 0.91 KCNB1 (0.44) PPARAPPARDPPARGSMN1; SMN2MEN1
SCHEMBL4341216 0.89 PPARG (0.45) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL4338949 0.89 PPARA (0.49) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL13810706 0.89 SMN1; SMN2 (0.43) MAPTSMN1; SMN2MEN1GAAKMT2A
SCHEMBL4335887 0.89 SMN1; SMN2 (0.44) PPARAMAPTSMN1; SMN2MEN1GAA
SCHEMBL4343697 0.88 GAA (0.44) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL4335124 0.86 PPARG (0.54) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL4333437 0.86 FAAH (0.41) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL4333142 0.86 SMN1; SMN2 (0.40) PPARAPPARDPPARGMAPTSMN1; SMN2
SCHEMBL4341713 0.84 PPARA (0.44) PPARAPPARDPPARGMAPTSMN1; SMN2

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 PPARA 339/4885PPARD 753/4885PPARG 379/4885

“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.