SCHEMBL304720

SCHEMBL304720

COC(=O)/C(Cc1ccc(OCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1)=C(\C(=O)OC)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
SUCNR1 Q9BXA5 6/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC5A1 P13866 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PDK2 Q15119 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
SCHEMBL304722 1.00 CA12 (0.40) CA12CA1CA2CA9ITGB3
SCHEMBL304719 1.00 CA12 (0.40) CA12CA1CA2CA9ITGB3
SCHEMBL304077 0.88 CA12 (0.52) CA12CA1CA2CA9ITGB3
SCHEMBL304076 0.88 CA12 (0.52) CA12CA1CA2CA9ITGB3
SCHEMBL24669294 0.77 CA12 (0.53) CA12CA1CA2CA9ITGB3
SCHEMBL304721 0.77 LMNA (0.32) ITGB3ITGA2BLMNAKDM4E
SCHEMBL24671341 0.77 CA12 (0.49) CA12CA1CA2CA9ITGB3
SCHEMBL306159 0.76 MTNR1A (0.40) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL306158 0.75 MTNR1A (0.40) CA12CA1CA2CA9LMNA
SCHEMBL24834412 0.74 CA12 (0.51) CA12CA1CA2CA9ITGB3

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 CA12 909/4885CA1 727/4885CA2 313/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CA12 909/4885CA1 727/4885CA2 313/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CA12 953/4885CA1 921/4885CA2 355/4885

“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.