Telaprevir

Telaprevir

SCHEMBL184177

CCC[C@@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C)C(=O)C(=O)NC1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

NS3NS4A

The experimentally established mechanism targets of Telaprevir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 13/20 1.00
CTSL P07711 8/20 1.00
CTSK P43235 6/20 1.00
CTSS P25774 3/20 1.00
ELANE P08246 2/20 1.00
CTSV O60911 1/20 1.00
PLG P00747 1/20 1.00
CMA1 P23946 1/20 1.00
CELA1 Q9UNI1 1/20 1.00
ABCG2 Q9UNQ0 1/20 0.90
CRBN Q96SW2 1/20 0.59

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
Telaprevir SCHEMBL19187546 1.00 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL13201921 1.00 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL13219678 1.00 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL13219647 1.00 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL13201959 1.00 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL13201901 1.00 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL13219193 1.00 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL22171584 1.00 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL22171583 1.00 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
Telaprevir SCHEMBL13201933 1.00 CTSB (1.00) CTSBCTSLCTSKCTSSELANE

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-20140056847-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 US claimed
US-20130177531-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-11 US claimed
US-20110171175-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 US claimed
EP-1910341-A2 INHIBITORS OF SERINE PROTEASES Vertex Pharmaceuticals Incorporated (US) 2008-04-16 EP claimed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US claimed
WO-2007016589-A2 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-08 WO claimed
WO-2020069125-A1 DEGRADERS OF HEPATITIS C VIRUS NS3/4A PROTEIN DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-02 WO disclosed
US-8871904-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-8871904-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-28 US disclosed
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-27 US disclosed
US-8637457-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-8637457-B2 Processes and intermediates VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-28 US disclosed
US-20130177531-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-11 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-20100063252-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED 2010-03-11 US disclosed
US-20070105781-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20110171175-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 CTSB 50/4885CTSL 18/4885CTSK 72/4885
US-20100063252-A1 PROCESSES AND INTERMEDIATES TFPI, SPINT2, SERPINB1 CTSB 49/4885CTSL 17/4885CTSK 91/4885
US-20140056847-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SERPINB1, PRSS3 CTSB 50/4885CTSL 18/4885CTSK 72/4885
US-20130177531-A1 Inhibitors of Serine Proteases PRSS1, SERPINB1, PRSS3 CTSB 50/4885CTSL 18/4885CTSK 72/4885
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 CTSB 43/4885CTSL 19/4885CTSK 86/4885
US-20100174077-A1 Processes and intermediates TFPI, SPINT2, SERPINB1 CTSB 49/4885CTSL 17/4885CTSK 91/4885
US-20070105781-A1 Inhibitors of serine proteases PRSS1, SERPINB1, PRSS3 CTSB 48/4885CTSL 17/4885CTSK 72/4885

“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.