SCHEMBL3417535

SCHEMBL3417535

O=C(O)c1cccc(-c2cc3c(c(CNC(=O)c4ccc(Cl)cc4F)c2)OCC3)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.45
▸ PPARD Q03181 3/20 0.45
▸ ACLY P53396 1/20 0.43
▸ FABP4 P15090 1/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ WDR5 P61964 2/20 0.41
▸ PTGER1 P34995 2/20 0.39
▸ DCLRE1B Q9H816 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MYC P01106 1/20 0.37
▸ SERPINE1 P05121 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ SLC2A1 P11166 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
SCHEMBL13433330 0.91 PPARA (0.46) PPARAPPARDACLYFABP4EPHX2
SCHEMBL3413893 0.88 PPARD (0.59) PPARAPPARDEPHX2PTGESPPARG
SCHEMBL13460953 0.87 PTGES (0.38) PPARAPPARDACLYPTGESMAPK1
SCHEMBL3416704 0.81 PPARA (0.41) PPARAPPARDACLYFABP4EPHX2
SCHEMBL3417366 0.80 PPARD (0.45) PPARAPPARDACLYFABP4EPHX2
SCHEMBL13460891 0.78 HPGD (0.39) ACLYPTGES
SCHEMBL3413822 0.77 PPARD (0.61) PPARAPPARDACLYPPARGMRGPRX4
SCHEMBL3413584 0.76 PPARD (0.66) PPARAPPARDACLYPPARGMRGPRX4
SCHEMBL13460759 0.75 PPARD (0.45) PPARAPPARDPTGESPPARG
SCHEMBL3415531 0.75 PPARD (0.58) PPARAPPARDACLYEPHX2WDR5

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 PPARA 130/4885PPARD 689/4885ACLY 354/4885

“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.

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