SCHEMBL9856517

SCHEMBL9856517

CC/C(C(=O)O)=C(\Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
CTBP2 P56545 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
EPHX2 P34913 1/20 0.42
HSD11B1 P28845 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL305657 0.98 CES1 (0.50) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL305659 0.98 CES1 (0.50) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL384895 0.89 CES1 (0.64) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL3881031 0.89 CES1 (0.64) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL384894 0.89 CES1 (0.64) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL304071 0.87 CES1 (0.61) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL304073 0.87 CES1 (0.61) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL6523785 0.85 CES2 (0.45) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL6523782 0.85 CES2 (0.45) CES1CES2AKR1B1CTBP2MEN1
SCHEMBL9355249 0.84 CES2 (0.48) CES1CES2AKR1B1CTBP2MEN1

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 10 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-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 US disclosed
WO-2013015388-A1 NDM INHIBITOR Meiji Seikaファルマ株式会社 (JP) 2013-01-31 WO 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
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US disclosed
EP-0420884-A1 COMPOUNDS CONTAINING AT LEAST THREE FUNCTIONAL ESTER GROUPS AND PROCESS FOR PRODUCING THEM Chemische Fabrik Stockhausen GmbH (DE) 1991-04-10 EP disclosed
WO-1989012040-A1 COMPOUNDS CONTAINING AT LEAST THREE FUNCTIONAL ESTER GROUPS AND PROCESS FOR PRODUCING THEM CHEMISCHE FABRIK STOCKHAUSEN GMBH (DE) 1989-12-14 WO disclosed
EP-0345719-A2 Compounds containing at least three functional ester groups, and process for their preparation Chemische Fabrik Stockhausen GmbH (DE) 1989-12-13 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 (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 CES1 206/4885CES2 400/4885AKR1B1 2040/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CES1 481/4885CES2 557/4885AKR1B1 1902/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CES1 240/4885CES2 401/4885AKR1B1 1812/4885

“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.