SCHEMBL3415371

SCHEMBL3415371

COc1ccc(-c2cccc(CC(=O)O)c2)cc1CCOC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.51
▸ ENPP2 Q13822 2/20 0.47
▸ NR1H4 Q96RI1 1/20 0.46
▸ PTGDR2 Q9Y5Y4 6/20 0.46
▸ PPARA Q07869 2/20 0.45
▸ TBXA2R P21731 2/20 0.43
▸ PTGDR Q13258 2/20 0.43
▸ PPARD Q03181 2/20 0.43
▸ RXRA P19793 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PTGIR P43119 1/20 0.41

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
SCHEMBL3416166 0.90 ENPP2 (0.58) MGLLENPP2NR1H4
SCHEMBL3416589 0.89 ENPP2 (0.50) MGLLENPP2NR1H4PPARDCYP3A4
SCHEMBL3419017 0.89 NR1H4 (0.52) MGLLENPP2NR1H4
SCHEMBL3417457 0.88 ENPP2 (0.49) MGLLENPP2NR1H4TBXA2R
SCHEMBL3416294 0.79 PTGDR2 (0.69) MGLLENPP2PTGDR2PPARATBXA2R
SCHEMBL4337850 0.79 PPARA (0.59) PPARAPPARD
SCHEMBL3411988 0.79 ENPP2 (0.42) MGLLENPP2NR1H4PTGDR2TBXA2R
SCHEMBL13810405 0.77 PPARA (0.55) PPARAPPARD
SCHEMBL3415287 0.76 PTGDR2 (0.64) MGLLENPP2PTGDR2PPARATBXA2R
SCHEMBL3415458 0.75 PTPN11 (0.49) ENPP2NR1H4PPARD

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 MGLL 3532/4885ENPP2 833/4885NR1H4 85/4885

“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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