SCHEMBL306030

SCHEMBL306030

[CH2]OC(=O)N(CC(C)C)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.48
CA12 O43570 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
MLYCD O95822 2/20 0.34
ALDH1A1 P00352 1/20 0.32
FPR1 P21462 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 2/20 0.31
ALOX12 P18054 1/20 0.30
LMNA P02545 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL306031 0.78 CA12 (0.50) CA1CA12CA2CA9MLYCD
SCHEMBL306434 0.77 CA12 (0.35) CA1CA12CA2CA9ALDH1A1
SCHEMBL304558 0.77 MEN1 (0.33) CA1CA12CA2CA9ALDH1A1
SCHEMBL12588890 0.76 CA1 (0.48) CA1CA12CA2CA9MLYCD
SCHEMBL28209461 0.76 CA1 (0.48) CA1CA12CA2CA9MLYCD
SCHEMBL6895788 0.74 CA12 (0.46) CA1CA12CA2CA9MLYCD
SCHEMBL10087929 0.74 CA12 (0.46) CA1CA12CA2CA9ALDH1A1
SCHEMBL20326558 0.73 CA1 (0.45) CA1CA12CA2CA9MLYCD
SCHEMBL6893955 0.73 CA12 (0.45) CA1CA12CA2CA9MLYCD
SCHEMBL6894039 0.73 CA12 (0.45) CA1CA12CA2CA9MLYCD

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
EP-2415875-B1 METHOD FOR IDENTIFICATION OF METALLO-[BETA]-LACTAMASE-PRODUCING BACTERIUM MEIJI SEIKA PHARMA CO LTD (JP) 2015-11-04 EP disclosed
US-8697382-B2 Method of identifying metallo-β-lactamase-producing bacteria MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-04-15 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-20120064557-A1 METHOD OF IDENTIFYING METALLO-BETA-LACTAMASE-PRODUCING BACTERIA MEIJI SEIKA PHARMA CO., LTD. (JP) 2012-03-15 US disclosed
EP-2415875-A1 METHOD FOR IDENTIFICATION OF METALLO- B -LACTAMASE-PRODUCING BACTERIUM Meiji Seika Pharma Co., Ltd. (JP) 2012-02-08 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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

“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.