SCHEMBL10193609

SCHEMBL10193609

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
RECQL P46063 2/20 0.35
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
EPHX1 P07099 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
SCHEMBL3513968 1.00 CES2 (0.36) CES2CES1RECQLKMT2ALMNA
SCHEMBL3513963 1.00 CES2 (0.36) CES2CES1RECQLKMT2ALMNA
SCHEMBL304243 0.98 CES2 (0.34) CES2CES1RECQLKMT2ALMNA
SCHEMBL10193617 0.98 CES2 (0.39) CES2CES1RECQLKMT2ALMNA
SCHEMBL304245 0.98 CES2 (0.34) CES2CES1RECQLKMT2ALMNA
SCHEMBL3513779 0.98 CES2 (0.39) CES2CES1RECQLKMT2ALMNA
SCHEMBL3513774 0.98 CES2 (0.39) CES2CES1RECQLKMT2ALMNA
SCHEMBL304664 0.96 CES2 (0.38) CES2CES1RECQLKMT2ALMNA
SCHEMBL304662 0.96 CES2 (0.38) CES2CES1RECQLKMT2ALMNA
SCHEMBL14672246 0.84

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 206/4885RECQL 2124/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CES2 557/4885CES1 481/4885RECQL 1871/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CES2 401/4885CES1 240/4885RECQL 2133/4885

“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.