SCHEMBL306435

SCHEMBL306435

COC(=O)N(CC(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 1/20 0.37
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA14 Q9ULX7 3/20 0.32
CA7 P43166 2/20 0.32
PIK3CD O00329 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
TAS2R14 Q9NYV8 1/20 0.30

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
SCHEMBL306434 0.80 CA12 (0.35) CA12CA9CA1CA2
SCHEMBL10112211 0.80 TSHR (0.37) CA12CA9CA1CA2TSHR
SCHEMBL23846689 0.79 MEN1 (0.33) CA12MEN1KMT2ACA14TSHR
SCHEMBL13301211 0.78 TSHR (0.41) CA12CA9CA1CA2GAA
SCHEMBL13321723 0.78 ALDH1A1 (0.40) CA12CA9CA1CA2MEN1
SCHEMBL304755 0.77 CA12 (0.33) CA12CA9CA1CA2
SCHEMBL25123692 0.77 HDAC6 (0.35) CA12CA9CA1CA2CA14
SCHEMBL10266658 0.77 KDM4C (0.42) MEN1KMT2ATSHRCYP2D6CYP2C19
SCHEMBL306031 0.76 CA12 (0.50) CA12CA9CA1CA2MEN1
SCHEMBL18125071 0.76 CA1 (0.37) CA12CA9CA1CA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-09-23 US disclosed
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-08-05 US 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
EP-2415875-B1 METHOD FOR IDENTIFICATION OF METALLO-[BETA]-LACTAMASE-PRODUCING BACTERIUM MEIJI SEIKA PHARMA CO LTD (JP) 2015-11-04 EP disclosed
US-8697382-B2 Method of identifying metallo-β-lactamase-producing bacteria MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-04-15 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-8048871-B2 Inhibitors that when coadministered with a drug that undergoes in vivo degradation by cytochrome P450 enzyme, improves the pharmacokinetics, bioavailability and disease treatment such as of HIV, Hepatitis C virus, diabetes, epilepsy, cancer, depression; amide or sulfonamide-functional benzofurans SEQUOIA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
US-20110112137-A1 HIV PROTEASE INHIBITOR AND CYTOCHROME P450 INHIBITOR COMBINATIONS SEQUOIA PHARMACEUTICALS, INC. (MD) 2011-05-12 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
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2008-05-15 US disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 US disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 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 (9 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-20080113945-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 CA12 2922/4885CA9 2141/4885CA1 1727/4885
US-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA CA12 909/4885CA9 157/4885CA1 727/4885
US-20210236442-A1 METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES IAPP, SLC5A2, SLC2A2 CA12 873/4885CA9 1656/4885CA1 3712/4885
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT CA12 1331/4885CA9 1126/4885CA1 4099/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA CA12 909/4885CA9 157/4885CA1 727/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM CA12 799/4885CA9 765/4885CA1 3160/4885
US-20110112137-A1 HIV PROTEASE INHIBITOR AND CYTOCHROME P450 INHIBITOR COMBINATIONS SERPINB1, CYP3A43, PREP CA12 3410/4885CA9 2130/4885CA1 2413/4885
US-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 CA12 2111/4885CA9 1122/4885CA1 2855/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA CA12 953/4885CA9 163/4885CA1 921/4885

“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.