SCHEMBL304438

SCHEMBL304438

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TSHR P16473 4/20 0.39
ALDH1A1 P00352 1/20 0.39
SLC6A1 P30531 2/20 0.36
SLC6A11 P48066 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
HSD11B1 P28845 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
EPHX1 P07099 1/20 0.33
NOS2 P35228 1/20 0.33
RECQL P46063 1/20 0.33
SRD5A2 P31213 1/20 0.33
NAAA Q02083 1/20 0.32

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
SCHEMBL5612656 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5612649 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9709409 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9860218 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1398377 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9860216 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL20530262 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL184066 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8334388 0.94 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL304440 0.94 CES2 (0.48) CES2CES1HDAC8HDAC6TSHR

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 9 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
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 (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 206/4885HDAC8 1853/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CES2 400/4885CES1 206/4885HDAC8 1853/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 CES2 557/4885CES1 481/4885HDAC8 678/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CES2 401/4885CES1 240/4885HDAC8 1914/4885

“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.