Telaprevir

Telaprevir

SCHEMBL349033

CCCC(NC(=O)C1C2CCCC2CN1C(=O)C(NC(=O)C(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 SCHEMBL184177 1.00 CTSB (1.00) CTSBCTSLCTSKCTSSELANE
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

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420122-B2 3-[2-(3-tert-Butyl-ureido)-3,3-dimethyl-butyryl]-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid (2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide; Solvent-anti-solvent precipitation; hepatitis C virus protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-04-16 US disclosed
US-8420122-B2 3-[2-(3-tert-Butyl-ureido)-3,3-dimethyl-butyryl]-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid (2-carbamoyl-1-cyclobutylmethyl-2-oxo-ethyl)-amide; Solvent-anti-solvent precipitation; hepatitis C virus protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-04-16 US disclosed
US-20120294935-A1 PROCESS FOR THE PRECIPITATION AND ISOLATION OF 6,6-DIMETHYL-3-AZA-BICYCLO [3.1.0] HEXANE-AMIDE COMPOUNDS BY CONTROLLED PRECIPITATION AND PHARMACEUTICAL FORMULATIONS CONTAINING SAME ZARKADAS DIMITRIOS (US) 2012-11-22 US disclosed
EP-2428204-A2 pH sensitive matrix formulation Schering Corporation (US) 2012-03-14 EP disclosed
US-20100081672-A1 PH SENSITIVE MATRIX FORMULATION SCHERING CORPORATION 2010-04-01 US disclosed
US-20100081672-A1 PH SENSITIVE MATRIX FORMULATION SCHERING CORPORATION 2010-04-01 US disclosed
US-20080254128-A1 Process for the precipitation and isolation of 6,6-dimethyl-3-aza-bicyclo [3.1.0] hexane-amide compounds by controlled precipitation and pharmaceutical formulations containing same MERCK SHARP & DOHME CORP. 2008-10-16 US disclosed
US-20080254128-A1 Process for the precipitation and isolation of 6,6-dimethyl-3-aza-bicyclo [3.1.0] hexane-amide compounds by controlled precipitation and pharmaceutical formulations containing same MERCK SHARP & DOHME CORP. 2008-10-16 US disclosed
US-20080193518-A1 Process for the precipitation and isolation of 6,6-Dimethyl-3-Aza Bicyclo [3.1.0] Hexane-Amide compounds by controlled precipitation and pharmaceutical formulations containing same SCHERING CORPORATION 2008-08-14 US disclosed
US-20080193518-A1 Process for the precipitation and isolation of 6,6-Dimethyl-3-Aza Bicyclo [3.1.0] Hexane-Amide compounds by controlled precipitation and pharmaceutical formulations containing same SCHERING CORPORATION 2008-08-14 US disclosed
WO-2007139585-A1 CONTROLLED-RELEASE FORMULATION SCHERING CORPORATION (US) 2007-12-06 WO disclosed
WO-2007127380-A2 PROCESS FOR THE PRECIPITATION AND ISOLATION OF 6,6-DIMETHYL-3-AZA-BICYCLO [3.1.0] HEXANE-AMIDE COMPOUNDS BY CONTROLLED PRECIPITATION AND PHARMACEUTICAL FORMULATIONS CONTAINING SAME SCHERING CORPORATION (US) 2007-11-08 WO disclosed
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same SCHERING CORPORATION 2007-10-11 US disclosed
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same SCHERING CORPORATION 2007-10-11 US disclosed
US-20070207949-A1 Medicaments and methods combining a HCV protease inhibitor and an AKR competitor SCHERING CORPORATION 2007-09-06 US disclosed
US-20070207949-A1 Medicaments and methods combining a HCV protease inhibitor and an AKR competitor SCHERING CORPORATION 2007-09-06 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 (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-20080193518-A1 Process for the precipitation and isolation of 6,6-Dimethyl-3-Aza Bicyclo [3.1.0] Hexane-Amide compounds by controlled precipitation and pharmaceutical formulations containing same AZI2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC1 CTSB 2896/4885CTSL 3868/4885CTSK 3775/4885
US-20120294935-A1 PROCESS FOR THE PRECIPITATION AND ISOLATION OF 6,6-DIMETHYL-3-AZA-BICYCLO [3.1.0] HEXANE-AMIDE COMPOUNDS BY CONTROLLED PRECIPITATION AND PHARMACEUTICAL FORMULATIONS CONTAINING SAME AZI2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC1 CTSB 2824/4885CTSL 3504/4885CTSK 3518/4885
US-20080254128-A1 Process for the precipitation and isolation of 6,6-dimethyl-3-aza-bicyclo [3.1.0] hexane-amide compounds by controlled precipitation and pharmaceutical formulations containing same AZI2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC1 CTSB 2824/4885CTSL 3504/4885CTSK 3518/4885
US-20100081672-A1 PH SENSITIVE MATRIX FORMULATION SI, HRH2, TMPRSS15 CTSB 645/4885CTSL 722/4885CTSK 470/4885
US-20070207949-A1 Medicaments and methods combining a HCV protease inhibitor and an AKR competitor CTSV, AKR1B1, AKR1A1 CTSB 14/4885CTSL 12/4885CTSK 10/4885
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same CTRL, PEPD, PRCP CTSB 55/4885CTSL 106/4885CTSK 103/4885

“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.