SCHEMBL4345261

SCHEMBL4345261

CCOc1ccc(CC(C(=O)O)C(=O)O)cc1COC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 12/20 0.55
PPARD Q03181 10/20 0.55
PPARG P37231 7/20 0.55
KDM4E B2RXH2 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
MGLL Q99685 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL13810423 0.93 PPARA (0.49) PPARAPPARDPPARGKDM4ECYP2C19
SCHEMBL4334763 0.90 PPARA (0.61) PPARAPPARDPPARG
SCHEMBL13810557 0.89 PPARA (0.50) PPARAPPARDPPARGMAPT
SCHEMBL4486227 0.88 KDM4E (0.47) PPARAPPARDPPARGKDM4ECYP2C19
SCHEMBL4335670 0.88 KDM4E (0.48) PPARAPPARDPPARGKDM4ECYP2C19
SCHEMBL4339592 0.87 KDM4E (0.46) KDM4ECYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL4340880 0.86 LDHA (0.48) KDM4ECYP2C19CYP2D6CYP1A2MEN1
SCHEMBL13810392 0.84 PPARA (0.56) PPARAPPARDPPARGMGLLMEN1
SCHEMBL13810410 0.82 KDM4E (0.47) PPARAPPARDPPARGKDM4ECYP2C19
SCHEMBL13810409 0.81 KDM4E (0.46) KDM4ECYP2C19CYP2D6MEN1KMT2A

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 3 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-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.