SCHEMBL3411792

SCHEMBL3411792

COc1ccc(-c2ccc(Cl)c(C(=O)O)c2)cc1CNC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.48
LMNA P02545 2/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
P2RX7 Q99572 1/20 0.46
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
RECQL P46063 2/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
TSHR P16473 1/20 0.45
PYGL P06737 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

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
SCHEMBL3416041 0.95 LMNA (0.50) ACLYLMNAPPARGPPARDPPARA
SCHEMBL3414088 0.92 PPARA (0.51) ACLYLMNAPPARGPPARDPPARA
SCHEMBL3412519 0.92 ACLY (0.47) ACLYLMNAPPARGPPARDPPARA
SCHEMBL3415991 0.89 ACLY (0.44) ACLYLMNAPPARGPPARDPPARA
SCHEMBL3414230 0.87 PPARA (0.63) ACLYLMNAPPARGPPARDPPARA
SCHEMBL3418861 0.86 PYGL (0.51) ACLYLMNAPPARGPPARDPPARA
SCHEMBL13460741 0.85 LMNA (0.45) LMNAROCK2ROCK1RECQLPOLB
SCHEMBL3418780 0.85 ALAD (0.46) LMNAPPARGPPARDPPARAROCK2
SCHEMBL13461041 0.84 LMNA (0.46) LMNAPPARGPPARDPPARAROCK2
SCHEMBL3415779 0.84 PPARD (0.51) ACLYLMNAPPARGPPARDPPARA

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 4 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-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 ACLY 354/4885LMNA 1778/4885PPARG 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.