SCHEMBL305798

SCHEMBL305798

O=C(O)C(Cc1ccccc1)=C(C(=O)O)C1CCCC1.[Na].[Na]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 7/20 0.44
HPGD P15428 2/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.42
CYP2C19 P33261 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1B1 P15121 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
FAAH O00519 1/20 0.41
ALOX12 P18054 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
SCHEMBL10193611 0.98 EPHX2 (0.49) EPHX2ALDH1A1HPGDUSP2KDM4E
SCHEMBL9709173 0.97 EPHX2 (0.51) EPHX2ALDH1A1HPGDUSP2KDM4E
SCHEMBL9709177 0.97 EPHX2 (0.51) EPHX2ALDH1A1HPGDUSP2KDM4E
SCHEMBL305796 0.97 EPHX2 (0.47) EPHX2ALDH1A1HPGDUSP2KDM4E
SCHEMBL6517293 0.86 EPHX2 (0.48) EPHX2ALDH1A1HPGDUSP2KDM4E
SCHEMBL6517301 0.86 EPHX2 (0.48) EPHX2ALDH1A1HPGDUSP2KDM4E
SCHEMBL15751653 0.78 EPHX2 (0.45) EPHX2ALDH1A1HPGDUSP2KDM4E
SCHEMBL305797 0.78 EPHX2 (0.45) EPHX2ALDH1A1HPGDUSP2KDM4E
SCHEMBL6521038 0.77 ALDH1A1 (0.54) EPHX2ALDH1A1HPGDUSP2KDM4E
SCHEMBL6521052 0.77 ALDH1A1 (0.54) EPHX2ALDH1A1HPGDUSP2KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US 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 (3 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA EPHX2 3473/4885ALDH1A1 372/4885HPGD 775/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA EPHX2 3473/4885ALDH1A1 372/4885HPGD 775/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA EPHX2 3392/4885ALDH1A1 461/4885HPGD 905/4885

“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.