SCHEMBL6124841

SCHEMBL6124841

CC(C)(C)OC(=O)NS(=O)(=O)C1(C)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA14 Q9ULX7 4/20 0.44
CA1 P00915 4/20 0.44
CA7 P43166 3/20 0.44
CA2 P00918 3/20 0.44
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
APLNR P35414 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR2 O43614 1/20 0.32
BTK Q06187 1/20 0.32
DGAT1 O75907 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
SCHEMBL18827825 0.82 CA12 (0.35) CA12CA14CA1CA7CA2
SCHEMBL4180962 0.80 CA12 (0.42) CA12CA14CA1CA7CA2
SCHEMBL8287306 0.80 CA12 (0.42) CA12CA14CA1CA7CA2
SCHEMBL4187258 0.80 CA12 (0.43) CA12CA14CA1CA7CA2
SCHEMBL4214454 0.79 CA12 (0.41) CA12CA14CA1CA7CA2
SCHEMBL28827505 0.79 CA12 (0.45) CA12CA14CA1CA7CA2
SCHEMBL15424554 0.78 MEN1 (0.35) CA12CA14CA1CA7CA2
SCHEMBL13798315 0.77 CA12 (0.46) CA12CA14CA1CA7CA2
SCHEMBL313730 0.77 CA12 (0.44) CA12CA14CA1CA7CA2
SCHEMBL4193420 0.77 CA12 (0.47) CA12CA14CA1CA7CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914614-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-08-16 EP disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
US-9643999-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-09 US disclosed
US-9643999-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-09 US disclosed
US-9580463-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-28 US disclosed
US-9580463-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-28 US disclosed
EP-2964664-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-01-11 EP disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-9527885-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-27 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs BAILEY MURRAY D 2008-08-21 US disclosed
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs BAILEY MURRAY D 2008-08-21 US disclosed
WO-2007009227-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 WO disclosed
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
WO-2006007708-A1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER ENGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 WO disclosed
WO-2005028501-A1 MACROCYCLIC PEPTIDES ACTIVE AGAINST THE HEPATITIS C VIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-03-31 WO 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-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs DPP3, CTSC, ANPEP CA12 3518/4885CA14 3125/4885CA1 3700/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 CA12 1619/4885CA14 1015/4885CA1 2504/4885
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs HAVCR2, ZC3HAV1, CTSC CA12 3304/4885CA14 2704/4885CA1 3294/4885

“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.