SCHEMBL3416639

SCHEMBL3416639

COc1ccc(-c2ccc(OC(C)C)c(C(=O)O)c2)cc1CNC(=O)c1sc(-c2ccc(C)cc2)nc1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
PPARA Q07869 10/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
PPARD Q03181 6/20 0.41
PPARG P37231 4/20 0.41
IDO1 P14902 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TARBP2 Q15633 1/20 0.40

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
SCHEMBL3419218 0.94 PPARA (0.51) PPARAKDM4EGAARAB9ALMNA
SCHEMBL3419435 0.91 XDH (0.47) XDHPPARAKDM4EGAARAB9A
SCHEMBL3417120 0.90 PPARA (0.49) PPARAKDM4EGAARAB9ALMNA
SCHEMBL13433239 0.88 PPARA (0.47) PPARAKDM4EGAARAB9ALMNA
SCHEMBL3418419 0.88 PPARA (0.54) XDHPPARAKDM4EGAARAB9A
SCHEMBL3418656 0.86 KDM4E (0.58) XDHPPARAKDM4EGAARAB9A
SCHEMBL3410503 0.85 PPARA (0.49) XDHPPARAKDM4EGAARAB9A
SCHEMBL3415767 0.83 PPARA (0.60) PPARAKDM4EGAARAB9ALMNA
SCHEMBL3416072 0.83 HPGD (0.51) PPARAGAAMAPTNPC1HPGD
SCHEMBL3416911 0.83 PPARA (0.51) PPARAKDM4EGAARAB9ALMNA

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 XDH 303/4885PPARA 130/4885KDM4E 3724/4885

“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.