SCHEMBL3410372

SCHEMBL3410372

COc1ccc(-c2cc(C(=O)O)ccc2Cl)cc1CNC(=O)c1ccc(OC(C)C)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 11/20 0.51
PPARA Q07869 5/20 0.51
PPARG P37231 5/20 0.51
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 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
SCHEMBL3416719 0.93 PPARD (0.52) PPARDPPARAPPARGEPHX2NR1H4
SCHEMBL3416841 0.92 PPARD (0.49) PPARDPPARAPPARGFFAR4
SCHEMBL3415299 0.90 PPARD (0.55) PPARDPPARAPPARG
SCHEMBL3416748 0.88 PPARD (0.64) PPARDPPARAPPARGEPHX2HTT
SCHEMBL3418861 0.88 PYGL (0.51) PPARDPPARAPPARGHTTROCK2
SCHEMBL3415328 0.88 PPARD (0.52) PPARDPPARAPPARG
SCHEMBL3416718 0.86 PPARD (0.48) PPARDPPARAPPARGEPHX2NR1H4
SCHEMBL3413789 0.84 PPARD (0.49) PPARDPPARAPPARGEPHX2NR1H4
SCHEMBL3416088 0.83 PPARD (0.46) PPARDPPARAPPARGHTTALDH1A1
SCHEMBL3416868 0.83 PPARD (0.61) PPARDPPARAPPARG

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 PPARD 689/4885PPARA 130/4885PPARG 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.