SCHEMBL305181

SCHEMBL305181

CC/C(C(=O)O)=C(/C(=O)O)C1CCCC1.[NaH].[NaH]

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
HSD11B1 P28845 1/20 0.33
NAAA Q02083 1/20 0.33
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL10193608 0.98 CES2 (0.36) CES2CES1HSD11B1NAAAHSD17B10
SCHEMBL164998 0.96 CES2 (0.39) CES2CES1HSD11B1NAAAHSD17B10
SCHEMBL165169 0.96 CES2 (0.39) CES2CES1HSD11B1NAAAHSD17B10
SCHEMBL164999 0.96 CES2 (0.39) CES2CES1HSD11B1NAAAHSD17B10
SCHEMBL305183 0.96 CES2 (0.34) CES2CES1HSD11B1NAAAHSD17B10
SCHEMBL6520977 0.82 NAAA (0.36) CES2CES1HSD11B1NAAAHSD17B10
SCHEMBL6520968 0.82 NAAA (0.36) CES2CES1HSD11B1NAAAHSD17B10
SCHEMBL6514709 0.78 SMN1; SMN2 (0.35) CES2CES1NAAAHSD17B10SMN1; SMN2
SCHEMBL6514696 0.78 SMN1; SMN2 (0.35) CES2CES1NAAAHSD17B10SMN1; SMN2
SCHEMBL304438 0.78 CES2 (0.48) CES2CES1HSD11B1NAAASMN1; SMN2

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 11 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
EP-2737900-A1 NDM INHIBITOR Meiji Seika Pharma Co., Ltd. (JP) 2014-06-04 EP disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 CN 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
CN-101267815-A metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA (JP) 2008-09-17 CN 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 (4 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 CES2 400/4885CES1 206/4885HSD11B1 384/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CES2 400/4885CES1 206/4885HSD11B1 384/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CES2 557/4885CES1 481/4885HSD11B1 1299/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CES2 401/4885CES1 240/4885HSD11B1 419/4885

“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.