SCHEMBL304623

SCHEMBL304623

COC(=O)/C(C)=C(/CN1CCCCC1)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 2/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL304625 1.00 ALDH1A1 (0.45) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL800059 0.87 ALDH1A1 (0.46) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL14140962 0.81 ALDH1A1 (0.42) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL303937 0.81 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL303939 0.81 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL30934386 0.75 ALDH1A1 (0.47) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL304624 0.73 ALDH1A1 (0.38) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL65325 0.72 ALDH1A1 (0.53) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL305251 0.72 ALDH1A1 (0.46) ALDH1A1TDP1HTTGAASMN1; SMN2
SCHEMBL305250 0.72 ALDH1A1 (0.46) ALDH1A1TDP1HTTGAASMN1; 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 15 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-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-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
CN-102964239-B metal-beta-lactamase inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-01-20 CN disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 CN disclosed
CN-102964239-A Metallo-beta-lactamase inhibitor MEIJI SEIKA KAISHA 2013-03-13 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
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
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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 ALDH1A1 372/4885TDP1 2860/4885HTT 4870/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885TDP1 2860/4885HTT 4870/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885TDP1 3098/4885HTT 4875/4885

“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.