SCHEMBL305120

SCHEMBL305120

CCOC(=O)C(Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(O)(CC)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.37
DRD2 P14416 1/20 0.36
PREP P48147 4/20 0.34
PPARA Q07869 3/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA9 Q16790 3/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
EPHX2 P34913 2/20 0.32
PPARG P37231 2/20 0.32
MMP8 P22894 1/20 0.31
FBP1 P09467 1/20 0.31

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
SCHEMBL304467 0.80 LDHA (0.38) PREPPPARACA12CA1CA9
SCHEMBL304717 0.79 MMP8 (0.49) EPHX2PPARGMMP8ALDH1A1L3MBTL1
SCHEMBL8895342 0.74 TSHR (0.41) OPRK1DRD2PREPPPARAABCB11
SCHEMBL9848674 0.71 CYP1A2 (0.47) PREPPPARACYP1A2CA12CA1
SCHEMBL13847884 0.70 PPARA (0.53) PPARAPPARG
SCHEMBL14728209 0.70 PREP (0.39) DRD2PREPCA12CA1CA9
SCHEMBL305274 0.70 CYP4F2 (0.57) DRD2PREPEPHX2L3MBTL1
SCHEMBL7588471 0.70 PREP (0.42) DRD2PREPPPARACA12CA1
SCHEMBL13080680 0.70 PREP (0.42) DRD2PREPPPARACA12CA1
SCHEMBL14728212 0.70 LDHA (0.44) PREPPPARACA12CA1CA9

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 OPRK1 2673/4885DRD2 4635/4885PREP 80/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA OPRK1 2673/4885DRD2 4635/4885PREP 80/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA OPRK1 2994/4885DRD2 4668/4885PREP 111/4885

“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.