SCHEMBL304624

SCHEMBL304624

CCOC(=O)C(CN1CCCCC1)=C(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 7/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL303938 0.84 KDM4E (0.40) ALDH1A1KDM4EGAASMN1; SMN2TDP1
SCHEMBL305250 0.81 ALDH1A1 (0.46) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL305251 0.81 ALDH1A1 (0.46) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL304186 0.80 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL304188 0.80 ALDH1A1 (0.44) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL305144 0.74 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL304623 0.73 ALDH1A1 (0.45) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL304625 0.73 ALDH1A1 (0.45) ALDH1A1HTTMEN1KMT2AKDM4E
SCHEMBL2038297 0.73 GAA (0.41) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL865518 0.72 GAA (0.47) ALDH1A1HTTMEN1KMT2ALMNA

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 6 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-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 (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 372/4885HTT 4870/4885MEN1 332/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885HTT 4870/4885MEN1 332/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885HTT 4875/4885MEN1 339/4885

“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.