SCHEMBL305035

SCHEMBL305035

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.34
PRKCA P17252 2/20 0.33
PRKCD Q05655 2/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5514865 0.87 PRKCA (0.47) CTSKPRKCAPRKCD
SCHEMBL180145 0.84 CTSK (0.38) CTSKPRKCAPRKCDALDH1A1
SCHEMBL6895132 0.81 CTSK (0.40) CTSKPRKCAPRKCD
Bicarbonate SCHEMBL3240516 0.79 CTSK (0.36) CTSKPRKCAPRKCDALDH1A1
SCHEMBL305036 0.79 CTSK (0.40) CTSKPRKCAPRKCDALDH1A1
SCHEMBL14185384 0.79 SOAT1 (0.43) CTSKPRKCAPRKCDALDH1A1
SCHEMBL1359445 0.78
SCHEMBL6893821 0.78 PRKCA (0.41) CTSKPRKCAPRKCDALDH1A1
SCHEMBL17183127 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL5568450 0.76 ALDH1A1 (0.35) CTSKALDH1A1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US claimed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US claimed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP claimed
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-20040176350-A1 Carbapenem compound KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-09-09 US claimed
EP-1398314-A1 CARBAPENEM COMPOUND Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-17 EP claimed
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
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-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 US disclosed
EP-1340757-A1 1-METHYLCARBAPENEM DERIVATIVES Sankyo Company, Limited (JP) 2003-09-03 EP disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 EP disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP disclosed
EP-0682023-B1 Imidazopyridine derivatives and process for preparing the same TANABE SEIYAKU CO (JP) 1997-02-12 EP disclosed
EP-0682023-A1 Imidazopyridine derivatives and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-11-15 EP 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-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM CTSK 3219/4885PRKCA 749/4885PRKCD 1319/4885
US-20040176350-A1 Carbapenem compound ALPI, SI, OXA1L CTSK 2122/4885PRKCA 2531/4885PRKCD 1871/4885
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 CTSK 1389/4885PRKCA 1336/4885PRKCD 536/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 CTSK 2053/4885PRKCA 3026/4885PRKCD 2493/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CTSK 505/4885PRKCA 2095/4885PRKCD 2894/4885

“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.