SCHEMBL304467

SCHEMBL304467

CCC(O)(C(=O)O)C(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.38
PREP P48147 4/20 0.36
PPARA Q07869 6/20 0.35
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA9 Q16790 3/20 0.35
PPARG P37231 3/20 0.35
PTPN1 P18031 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
MME P08473 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 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
SCHEMBL305120 0.80 OPRK1 (0.37) PREPPPARACA12CA1CA9
SCHEMBL9848674 0.79 CYP1A2 (0.47) LDHAPREPPPARACA12CA1
SCHEMBL14728212 0.78 LDHA (0.44) LDHAPREPPPARACA12CA1
SCHEMBL27714991 0.77 LDHA (0.37) LDHAPREPPPARACA12CA1
SCHEMBL304065 0.77 CYP1A2 (0.47) PPARAPPARG
SCHEMBL14728214 0.77 PTPN1 (0.55) LDHAPTPN1ITGB3ITGA2B
SCHEMBL9694700 0.77 PTPN1 (0.55) LDHAPTPN1ITGB3ITGA2B
SCHEMBL5385209 0.76 PPARG (0.52) LDHAPPARAPPARG
SCHEMBL15751229 0.75 PREP (0.32) LDHAPREPPPARACA12CA1
SCHEMBL15751230 0.75 PREP (0.32) LDHAPREPPPARACA12CA1

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 10 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
CN-102964239-B metal-beta-lactamase inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-01-20 CN disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 CN disclosed
CN-102964239-A Metallo-beta-lactamase inhibitor MEIJI SEIKA KAISHA 2013-03-13 CN 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
CN-101267815-A metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA (JP) 2008-09-17 CN 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 LDHA 31/4885PREP 80/4885PPARA 1461/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA LDHA 31/4885PREP 80/4885PPARA 1461/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA LDHA 30/4885PREP 111/4885PPARA 1588/4885

“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.