SCHEMBL304940

SCHEMBL304940

CC(C)/C(C(=O)O)=C(\Cc1ccc(C(=O)N2CCC(O)CC2)cc1)C(=O)O.[NaH].[NaH]

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
GRM3 Q14832 1/20 0.43
KMT2A Q03164 2/20 0.42
HRH3 Q9Y5N1 3/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
L3MBTL3 Q96JM7 3/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
NAMPT P43490 1/20 0.39
MEN1 O00255 1/20 0.39
MBTD1 Q05BQ5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDK1 Q15118 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL10193641 0.99 GRM5 (0.47) GRM5GRM3KMT2AHRH3HSP90AA1
SCHEMBL304942 0.98 GRM5 (0.46) GRM5GRM3KMT2AHRH3HSP90AA1
SCHEMBL304170 0.85 SIGMAR1 (0.49) KMT2AHRH3ALDH1A1MEN1
SCHEMBL10193639 0.83 SIGMAR1 (0.50) KMT2AHRH3ALDH1A1MEN1
SCHEMBL10193638 0.83 HRH3 (0.51) KMT2AHRH3HSP90AA1HSP90AB1ALDH1A1
SCHEMBL15751213 0.83 GRM5 (0.43) GRM5GRM3KMT2AHRH3HSP90AA1
SCHEMBL304941 0.83 GRM5 (0.43) GRM5GRM3KMT2AHRH3HSP90AA1
SCHEMBL304172 0.82 SIGMAR1 (0.49) KMT2AHRH3ALDH1A1MEN1
SCHEMBL800085 0.78 GRM5 (0.47) GRM5GRM3KMT2AHRH3HSP90AA1
SCHEMBL304833 0.77 ALDH1A1 (0.46) KMT2AALDH1A1POLBMEN1L3MBTL1

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 GRM5 1865/4885GRM3 3672/4885KMT2A 1979/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA GRM5 1865/4885GRM3 3672/4885KMT2A 1979/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 GRM5 1590/4885GRM3 3343/4885KMT2A 1883/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA GRM5 2031/4885GRM3 3776/4885KMT2A 1961/4885

“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.