SCHEMBL303883

SCHEMBL303883

O=C(OCI)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.42
NAAA Q02083 2/20 0.41
CYP19A1 P11511 4/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33
MMP1 P03956 1/20 0.33
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL305170 0.98 EPHX1 (0.41) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL2719403 0.94 EPHX1 (0.37) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL6007716 0.85 EPHX1 (0.46) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL2956734 0.84 EPHX1 (0.42) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL4248940 0.82 EPHX1 (0.43) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL6007723 0.81 EPHX1 (0.46) EPHX1HTTCYP2C19NAAACYP19A1
SCHEMBL305711 0.80 L3MBTL1 (0.35) L3MBTL1
SCHEMBL8426647 0.79 EPHX1 (0.60) EPHX1HTTCYP2C19NAAACA12
SCHEMBL13387598 0.79 EPHX1 (0.60) EPHX1HTTCYP2C19NAAACA12
SCHEMBL11589654 0.79 EPHX1 (0.60) EPHX1HTTCYP2C19NAAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10464952-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-11-05 US disclosed
US-20180291039-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-10-11 US disclosed
WO-2017100537-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2017-06-15 WO disclosed
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-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 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
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
WO-1997041098-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-11-06 WO disclosed
WO-1997021675-A1 MONOCYCLIC BETA-LACTAME DERIVATIVES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-06-19 WO disclosed
US-5612477-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C 1997-03-18 US disclosed
US-5606051-A 2-(pyrazol-3-yl)carbapenem derivatives SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-25 US disclosed
EP-0725783-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1996-08-14 EP disclosed
WO-1995011905-A1 2-(PYRAZOL-3-YL)CARBAPENEM DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1995-05-04 WO disclosed
WO-1993019067-A1 IMIDAZOPYRIDINE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-30 WO disclosed
US-5120841-A Antibiotics for easy absorption TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-06-09 US disclosed
EP-0128029-B1 CEPHALOSPORIN ESTER DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed
EP-0128029-A2 Cephalosporin ester derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-12-12 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-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT EPHX1 4523/4885HTT 3272/4885CYP2C19 239/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA EPHX1 3070/4885HTT 4870/4885CYP2C19 670/4885
US-10464952-B2 Beta-lactamase inhibitors MGAM, GAA, LCT EPHX1 1252/4885HTT 4789/4885CYP2C19 701/4885
US-20180291039-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT EPHX1 1252/4885HTT 4789/4885CYP2C19 701/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA EPHX1 3262/4885HTT 4875/4885CYP2C19 621/4885

“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.