SCHEMBL304717

SCHEMBL304717

CCOC(=O)C(Cc1ccccc1)C(O)(CC)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.49
ALDH1A1 P00352 3/20 0.45
RECQL P46063 1/20 0.45
PIN1 Q13526 2/20 0.43
TP53 P04637 2/20 0.41
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
PPID Q08752 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL305289 0.88 MMP8 (0.46) MMP8ALDH1A1RECQLPIN1TP53
SCHEMBL5728110 0.83 MMP8 (0.49) MMP8ALDH1A1RECQLPIN1TP53
SCHEMBL15930101 0.80 MMP8 (0.55) MMP8ALDH1A1RECQLPIN1TP53
SCHEMBL14770008 0.80 MMP8 (0.55) MMP8ALDH1A1RECQLPIN1TP53
SCHEMBL5650006 0.80 MMP8 (0.52) MMP8ALDH1A1RECQLTP53EPHX2
SCHEMBL5653528 0.80 MMP8 (0.52) MMP8ALDH1A1RECQLTP53EPHX2
SCHEMBL5651363 0.79 MMP8 (0.51) MMP8ALDH1A1PIN1TP53EPHX2
SCHEMBL5651688 0.79 MMP8 (0.51) MMP8ALDH1A1PIN1TP53EPHX2
SCHEMBL305120 0.79 OPRK1 (0.37) MMP8ALDH1A1EPHX2PPARGL3MBTL1
SCHEMBL27094038 0.79 MMP8 (0.53) MMP8ALDH1A1RECQLPIN1TP53

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 MMP8 177/4885ALDH1A1 372/4885RECQL 2124/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA MMP8 177/4885ALDH1A1 372/4885RECQL 2124/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA MMP8 203/4885ALDH1A1 461/4885RECQL 2133/4885

“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.