SCHEMBL304718

SCHEMBL304718

CCC(C)OC(=O)C(O)(CC)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.38
TRPA1 O75762 1/20 0.38
CTSK P43235 3/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
SRR Q9GZT4 2/20 0.37
MME P08473 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CTSH P09668 1/20 0.37
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL304065 0.80 CYP1A2 (0.47) ACEMAPTCYP1A2PPARGPPARA
SCHEMBL304717 0.74 MMP8 (0.49) MAPTPPARGNPC1PKM
SCHEMBL335398 0.73 MAPT (0.51) ACEMAPTCYP1A2TRPA1PPARG
SCHEMBL6623361 0.71 CYP1A2 (0.43) CYP1A2PPARGPPARASRRCPA1
SCHEMBL10522339 0.71 PTPN1 (0.43) MAPTTRPA1PPARGPPARATSHR
SCHEMBL673675 0.69 CYP1A2 (0.48) CYP1A2SRRMMECPA1ALPI
SCHEMBL7440219 0.69 CYP1A2 (0.48) ACEMAPTCYP1A2PPARGPPARA
SCHEMBL20747639 0.69 ALPI (0.54) MAPTTRPA1ALPIPKMPTGS1
SCHEMBL20747685 0.69 ALPI (0.54) MAPTTRPA1ALPIPKMPTGS1
SCHEMBL10812589 0.69 MAPT (0.47) MAPTCYP1A2

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 ACE 112/4885MAPT 2687/4885CYP1A2 749/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ACE 112/4885MAPT 2687/4885CYP1A2 749/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ACE 144/4885MAPT 2972/4885CYP1A2 715/4885

“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.