SCHEMBL3667036

SCHEMBL3667036

CCCC(C=O)NC(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTSK P43235 20/20 0.63

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
SCHEMBL12635080 1.00 CTSK (0.63) CTSK
SCHEMBL418758 1.00 CTSK (0.63) CTSK
SCHEMBL3285479 0.90 CTSK (0.78) CTSK
SCHEMBL3623912 0.90 CTSK (0.78) CTSK
SCHEMBL8576225 0.90 CTSK (0.78) CTSK
SCHEMBL31471965 0.89 CTSK (0.71) CTSK
SCHEMBL22433834 0.86 CTSK (0.63) CTSK
SCHEMBL1802737 0.86 CTSK (0.66) CTSK
SCHEMBL12538274 0.86 CTSK (0.66) CTSK
SCHEMBL374867 0.86 CTSK (0.66) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014083582-A2 NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2014-06-05 WO claimed
WO-2024119026-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2024-06-06 WO disclosed
CN-116969889-B Preparation method of phenanthridine or chiral phenanthridine compound 瑞博(杭州)医药科技有限公司 2024-03-26 CN disclosed
CN-116969889-A Preparation method of phenanthridine or chiral phenanthridine compound 瑞博(杭州)医药科技有限公司 2023-10-31 CN disclosed
EP-2268285-B1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
WO-2014083582-A2 NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2014-06-05 WO disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 US disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
EP-2237793-A1 INHIBITORS OF CATHEPSIN B Virobay, Inc. (US) 2010-10-13 EP disclosed
WO-2007005838-A2 HCV INHIBITORS VIROBAY, INC. (US) 2007-01-11 WO disclosed
US-20050059606-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON CORPORATION (US) 2005-03-17 US disclosed
US-6800434-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2004-10-05 US disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1301528-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-04-16 EP disclosed
US-20030036501-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus DENDREON PHARMACEUTICALS LLC 2003-02-20 US disclosed
WO-2002008256-A2 PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2002-01-31 WO disclosed
EP-1171127-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION Targacept, Inc. (US) 2002-01-16 EP disclosed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO disclosed
EP-0639585-A1 Elastase inhibitor BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 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 (4 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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP CTSK 243/4885
US-20050059606-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, TMPRSS15 CTSK 244/4885
US-20030036501-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus VIP, HPN, TMPRSS15 CTSK 244/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSK 8/4885

“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.