SCHEMBL3416618

SCHEMBL3416618

CCOc1ccc(-c2ccc(C)c(C(=O)OC)c2)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.44
PPARA Q07869 3/20 0.44
PTPN1 P18031 3/20 0.39
PTPN2 P17706 2/20 0.39
PTPN6 P29350 2/20 0.39
PTPN11 Q06124 2/20 0.39
PTPRF P10586 1/20 0.39
TP53 P04637 1/20 0.39
ATR Q13535 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
ESRRA P11474 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL3416129 0.92 PPARD (0.49) PPARDPPARAPTPN1PTPN2PTPN6
SCHEMBL3415566 0.90 PPARD (0.40) PPARDPPARAATRAAK1ALDH1A1
SCHEMBL3415333 0.87 CYP2C9 (0.44) PPARDPPARAESRRAHDAC1
SCHEMBL13433374 0.86 KCNA5 (0.39) PPARDPPARAATRAAK1HDAC1
SCHEMBL3416502 0.84 HDAC1 (0.44) ATRHDAC1
SCHEMBL3414304 0.84 PPARD (0.43) PPARDPPARAMAPTHDAC1
SCHEMBL3413999 0.83 EGFR (0.41) PPARDPPARAATRALDH1A1HTT
SCHEMBL3415962 0.82 PPARD (0.58) PPARDPPARAPTPN11
SCHEMBL3415702 0.82 PPARD (0.47) PPARDPPARAPTPN1PTPN2PTPN6
SCHEMBL3414183 0.80 LMNA (0.43) PPARDPPARAATRMAPTALDH1A1

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-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR PPARD 689/4885PPARA 130/4885PTPN1 761/4885

“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.