SCHEMBL10193608

SCHEMBL10193608

CC/C(C(=O)O)=C(/C(=O)O)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HSD11B1 P28845 1/20 0.34
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NAAA Q02083 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL164999 0.98 CES2 (0.39) CES2CES1HSD11B1HSD17B10NAAA
SCHEMBL305181 0.98 CES2 (0.34) CES2CES1HSD11B1HSD17B10SMN1; SMN2
SCHEMBL165169 0.98 CES2 (0.39) CES2CES1HSD11B1HSD17B10NAAA
SCHEMBL305183 0.98 CES2 (0.34) CES2CES1HSD11B1HSD17B10SMN1; SMN2
SCHEMBL164998 0.98 CES2 (0.39) CES2CES1HSD11B1HSD17B10NAAA
SCHEMBL6520977 0.83 NAAA (0.36) CES2CES1HSD11B1HSD17B10SMN1; SMN2
SCHEMBL6520968 0.83 NAAA (0.36) CES2CES1HSD11B1HSD17B10SMN1; SMN2
SCHEMBL6514709 0.80 SMN1; SMN2 (0.35) CES2CES1HSD17B10SMN1; SMN2NAAA
SCHEMBL6514696 0.80 SMN1; SMN2 (0.35) CES2CES1HSD17B10SMN1; SMN2NAAA
SCHEMBL28712744 0.78 CES2 (0.39) CES2CES1HSD11B1NAAAALDH1A1

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 7 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

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 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.