SCHEMBL305977

SCHEMBL305977

CC(C)CCOC(=O)OCI

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
MAPK1 P28482 3/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
EPHX2 P34913 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
SCHEMBL610682 0.89 CA1 (0.50) CA1CA12CA2CA9MAPK1
SCHEMBL17075163 0.89 CA1 (0.50) CA1CA12CA2CA9MAPK1
Bicarbonate SCHEMBL28723134 0.84 CA1 (0.46) CA1CA12CA2CA9MAPK1
SCHEMBL13301164 0.80 TSHR (0.43) CA1CA12CA2CA9MAPK1
SCHEMBL5009623 0.80 CA12 (0.43) CA1CA12CA2CA9MAPK1
SCHEMBL5511449 0.80 ALDH1A1 (0.59) CA1CA12CA2CA9MAPK1
SCHEMBL305153 0.79 MAPK1 (0.47) CA1CA12CA2CA9MAPK1
SCHEMBL14311948 0.79 CA1 (0.46) CA1CA12CA2CA9MAPK1
SCHEMBL5964961 0.78 CA1 (0.42) CA1CA12CA2CA9MAPK1
SCHEMBL312855 0.78 CA1 (0.42) CA1CA12CA2CA9MAPK1

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 12 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-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 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
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 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
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed
US-4426391-A [(Alkoxycarbonyl)oxy]alkyl esters of methyldopa MERCK & CO., INC. (US) 1984-01-17 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 (5 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 CA1 727/4885CA12 909/4885CA2 313/4885
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT CA1 4099/4885CA12 1331/4885CA2 2410/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CA1 727/4885CA12 909/4885CA2 313/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM CA1 3160/4885CA12 799/4885CA2 1641/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CA1 921/4885CA12 953/4885CA2 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.