SCHEMBL3413611

SCHEMBL3413611

COc1ccc(B(O)O)cc1CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
KDM4A O75164 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
DRD2 P14416 3/20 0.39
POLB P06746 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KCNA5 P22460 1/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
GFER P55789 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
HPGD P15428 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL6675923 0.82 KDM4E (0.45) KDM4EKDM4AALDH1A1GAADRD2
SCHEMBL3413974 0.82 ALDH1A1 (0.54) KDM4EALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL12678687 0.81 GAA (0.40) KDM4EALDH1A1GAADRD2L3MBTL1
SCHEMBL5031762 0.81 PPARA (0.45) KDM4EKDM4AALDH1A1POLBMTNR1A
SCHEMBL29925025 0.81 EPHX2 (0.41) KDM4AL3MBTL1KCNA5
SCHEMBL2723309 0.81 EPHX2 (0.41) KDM4AL3MBTL1KCNA5
SCHEMBL4339307 0.80 KDM4E (0.49) KDM4EKDM4AALDH1A1POLBHPGD
SCHEMBL5031794 0.80 PPARD (0.44) KDM4EKDM4AALDH1A1POLBMTNR1A
SCHEMBL182796 0.79 CA12 (0.46) KDM4EALDH1A1GAADRD2MTNR1A
SCHEMBL182645 0.78 CA12 (0.46) ALDH1A1DRD2MTNR1AMTNR1BL3MBTL1

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 KDM4E 3724/4885KDM4A 3866/4885ALDH1A1 1626/4885

“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.