SCHEMBL3415486

SCHEMBL3415486

CCCOc1ccc(-c2ccsc2C(=O)OC)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 10/20 0.43
KMT2A Q03164 2/20 0.40
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
NLRP3 Q96P20 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL13433414 0.83 PPARD (0.40) PPARDPPARGPPARA
SCHEMBL3413504 0.83 PPARD (0.51) PPARDPPARGPPARANLRP3
SCHEMBL3416129 0.81 PPARD (0.49) PPARDPPARGPPARA
SCHEMBL3417468 0.81 PPARD (0.47) PPARDPPARGPPARANLRP3
SCHEMBL3418949 0.81 PPARD (0.48) PPARDPPARGPPARANLRP3
SCHEMBL3413782 0.80 PPARD (0.47) PPARDPPARGPPARANLRP3
SCHEMBL3416800 0.80 PPARD (0.46) PPARDPPARGPPARA
SCHEMBL3413878 0.80 PPARD (0.49) PPARDPPARGPPARA
SCHEMBL3415702 0.80 PPARD (0.47) PPARDPPARGPPARA
SCHEMBL3414012 0.78 PPARG (0.43) PPARDPPARGPPARANLRP3

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-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 PPARD 689/4885KMT2A 2276/4885PPARG 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.