SCHEMBL7992855

SCHEMBL7992855

C=CC1C[C@]1(NC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43

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
SCHEMBL1462105 1.00 CYP3A4 (0.43) CYP3A4
SCHEMBL18018745 1.00 CYP3A4 (0.43) CYP3A4
SCHEMBL1881299 1.00 CYP3A4 (0.43) CYP3A4
SCHEMBL1537664 1.00 CYP3A4 (0.43) CYP3A4
SCHEMBL16276693 0.95
SCHEMBL19192762 0.89 CYP3A4 (0.37) CYP3A4
SCHEMBL12055304 0.86 CYP3A4 (0.34) CYP3A4
SCHEMBL12588631 0.86 CYP3A4 (0.35) CYP3A4
SCHEMBL14301676 0.85 CYP3A4 (0.34) CYP3A4
SCHEMBL8248969 0.84 CFD (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073825-B2 Methods and intermediates for preparing macrolactams MERCK SHARP & DOHME LIMITED (GB) 2015-07-07 US disclosed
US-9073825-B2 Methods and intermediates for preparing macrolactams MERCK SHARP & DOHME LIMITED (GB) 2015-07-07 US disclosed
US-20140243519-A1 METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-20140243519-A1 METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
WO-2013028471-A1 METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
EP-1910378-B1 HEPATITIS C INHIBITOR PEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2012-06-20 EP disclosed
EP-1771453-B1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INT (DE) 2012-05-30 EP disclosed
US-8093379-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-01-10 US disclosed
EP-1797111-B1 ACYLSULFONAMIDE COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-06-22 EP disclosed
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-7550559-B2 Acylsulfonamide compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2009-06-23 US disclosed
US-7550559-B2 Acylsulfonamide compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2009-06-23 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-2008098368-A1 INHIBITORS OF HEPATITIS C NS3 PROTEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
WO-2006026352-A1 ACYLSULFONAMIDE COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2006-03-09 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 CYP3A4 1024/4885
US-20140243519-A1 METHODS AND INTERMEDIATES FOR PREPARING MACROLACTAMS CYP51A1, RCE1, AADAC CYP3A4 165/4885
US-20080200497-A1 Hepatitis C Inhibitor Peptide Analogs HAVCR2, ZC3HAV1, CTSC CYP3A4 603/4885

“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.