SCHEMBL303938

SCHEMBL303938

CCOC(=O)C(CN1CCC(O)CC1)=C(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.36
GAA P10253 3/20 0.35
PKM P14618 1/20 0.34
TERT O14746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL304624 0.84 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL10193628 0.83 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2TERT
SCHEMBL304459 0.82 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2TERT
SCHEMBL304457 0.82 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2TERT
SCHEMBL303937 0.76 ALDH1A1 (0.34) KDM4EALDH1A1SMN1; SMN2TERT
SCHEMBL303939 0.76 ALDH1A1 (0.34) KDM4EALDH1A1SMN1; SMN2TERT
SCHEMBL6642453 0.75 TDP1 (0.41) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL7057215 0.74 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL7057211 0.74 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL800592 0.71 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2TERT

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 KDM4E 2771/4885ALDH1A1 372/4885SMN1; SMN2 2666/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA KDM4E 2771/4885ALDH1A1 372/4885SMN1; SMN2 2666/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA KDM4E 2768/4885ALDH1A1 461/4885SMN1; SMN2 2687/4885

“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.