SCHEMBL3418681

SCHEMBL3418681

COc1ccc(-c2cc(C(=O)O)ccc2Cl)cc1CNC(=O)c1sc(-c2ccc(C)cc2)nc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.46
PPARD Q03181 5/20 0.46
PPARG P37231 3/20 0.46
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
XDH P47989 1/20 0.42
NR2E3 Q9Y5X4 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3414254 0.92 PPARD (0.47) PPARAPPARDPPARGGAAKDM4E
SCHEMBL3412001 0.90 PPARA (0.46) PPARAPPARDPPARGGAAKDM4E
SCHEMBL13433239 0.87 PPARA (0.47) PPARAPPARDPPARGGAAKDM4E
SCHEMBL3415767 0.86 PPARA (0.60) PPARAPPARDPPARGGAAKDM4E
SCHEMBL3418656 0.86 KDM4E (0.58) PPARAPPARDPPARGGAAKDM4E
SCHEMBL3419218 0.84 PPARA (0.51) PPARAPPARDPPARGGAAKDM4E
SCHEMBL13460828 0.83 PPARA (0.45) PPARAPPARDPPARGGAAKDM4E
SCHEMBL3413742 0.83 PPARA (0.58) PPARAPPARDPPARGGAAKDM4E
SCHEMBL3412965 0.83 PPARA (0.58) PPARAPPARDPPARGKDM4EMAPT
SCHEMBL3416070 0.82 PPARA (0.47) PPARAPPARDPPARGGAAKDM4E

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 PPARA 130/4885PPARD 689/4885PPARG 238/4885

“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.