SCHEMBL3416709

SCHEMBL3416709

COc1ccc(-c2cccc(C(=O)O)c2F)cc1CNC(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.48
PPARA Q07869 3/20 0.47
PPARD Q03181 3/20 0.47
APEX1 P27695 3/20 0.45
PPARG P37231 1/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
LMNA P02545 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
HPGD P15428 2/20 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
SCHEMBL3415434 0.93 PPARD (0.53) PPARAPPARDAPEX1PPARGROCK2
SCHEMBL3414218 0.89 PPARD (0.56) MRGPRX4PPARAPPARDPPARG
SCHEMBL3416088 0.89 PPARD (0.46) PPARAPPARDAPEX1PPARGROCK2
SCHEMBL13460880 0.87 ROCK2 (0.42) PPARAPPARDROCK2ROCK1LMNA
SCHEMBL3410489 0.87 PPARD (0.52) PPARAPPARDPPARGTAS1R3TAS1R1
SCHEMBL3412519 0.85 ACLY (0.47) MRGPRX4PPARAPPARDPPARGROCK2
SCHEMBL3416559 0.84 PPARD (0.46) PPARAPPARDPPARGROCK2ROCK1
SCHEMBL3416041 0.84 LMNA (0.50) MRGPRX4PPARAPPARDPPARGROCK2
SCHEMBL3413296 0.84 PPARD (0.49) MRGPRX4PPARAPPARDPPARGROCK2
SCHEMBL3411792 0.83 ACLY (0.48) MRGPRX4PPARAPPARDPPARGROCK2

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 MRGPRX4 975/4885PPARA 130/4885PPARD 689/4885

“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.