SCHEMBL7417702

SCHEMBL7417702

CCC[C@@H](C=O)NC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.65
CTSB P07858 7/20 0.58
CTSL P07711 7/20 0.58
CTSH P09668 2/20 0.58
CTSS P25774 1/20 0.52

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
SCHEMBL14527881 1.00 CTSK (0.65) CTSKCTSBCTSLCTSHCTSS
SCHEMBL5674738 0.92 CTSK (0.77) CTSKCTSBCTSLCTSHCTSS
SCHEMBL5674735 0.92 CTSK (0.77) CTSKCTSBCTSLCTSHCTSS
SCHEMBL19050936 0.91 CTSK (0.72) CTSKCTSBCTSLCTSHCTSS
SCHEMBL30825010 0.90 CTSK (0.59) CTSKCTSBCTSLCTSHCTSS
SCHEMBL5275932 0.90 CTSK (0.59) CTSKCTSBCTSLCTSHCTSS
SCHEMBL5275940 0.90 CTSK (0.59) CTSKCTSBCTSLCTSHCTSS
SCHEMBL7732224 0.87 CTSK (0.63) CTSKCTSBCTSLCTSS
SCHEMBL16230129 0.86 CTSK (0.56) CTSKCTSBCTSLCTSH
SCHEMBL7353552 0.86 CTSK (0.56) CTSKCTSBCTSLCTSH

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2738164-A1 Synthesis of an intermediate of an antiviral compound Dipharma Francis S.r.l. (IT) 2014-06-04 EP disclosed
US-20140148574-A1 SYNTHESIS OF AN INTERMEDIATE OF AN ANTIVIRAL COMPOUND DIPHARMA FRANCIS S.R.L. (IT) 2014-05-29 US disclosed
US-8637457-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
WO-2013136265-A1 SYNTHESIS OF AN INTERMEDIATE OF AN ANTIVIRAL COMPOUND DIPHARMA FRANCIS S.R.L. (IT) 2013-09-19 WO disclosed
WO-2013136265-A1 SYNTHESIS OF AN INTERMEDIATE OF AN ANTIVIRAL COMPOUND DIPHARMA FRANCIS S.R.L. (IT) 2013-09-19 WO disclosed
US-8399615-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-19 US disclosed
US-8383858-B2 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-26 US disclosed
US-20100298568-A1 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 US disclosed
US-7776887-B2 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-17 US disclosed
US-20100174077-A1 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-08 US disclosed
US-20100063252-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED 2010-03-11 US disclosed
US-20070244334-A1 Processes and intermediates for preparing steric compounds VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
WO-2007109023-A1 PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-09-27 WO disclosed
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections VERTEX PHARMACEUTICALS INCORPORATED 2007-04-19 US disclosed
US-5733882-A Retroviral protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1998-03-31 US disclosed
EP-0602069-A4 RETROVIRAL PROTEASE INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-05-03 EP disclosed
EP-0602069-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-22 EP disclosed
WO-1993002057-A1 RETROVIRAL PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-02-04 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 (6 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-20100298568-A1 Processes and intermediates for preparing steric compounds REV1, HSD11B1, CYP11B1 CTSK 2555/4885CTSB 1530/4885CTSL 2031/4885
US-20140148574-A1 SYNTHESIS OF AN INTERMEDIATE OF AN ANTIVIRAL COMPOUND ZC3HAV1, PREP, EIF2AK2 CTSK 132/4885CTSB 93/4885CTSL 69/4885
US-20100063252-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 CTSK 91/4885CTSB 49/4885CTSL 17/4885
US-20070087973-A1 producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections PRSS1, CTRL, TMPRSS2 CTSK 86/4885CTSB 43/4885CTSL 19/4885
US-20100174077-A1 Processes and intermediates TFPI, SPINT2, SERPINB1 CTSK 91/4885CTSB 49/4885CTSL 17/4885
US-20070244334-A1 Processes and intermediates for preparing steric compounds REV1, HSD11B1, CYP11B1 CTSK 2555/4885CTSB 1530/4885CTSL 2031/4885

“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.