Telaprevir

Telaprevir

SCHEMBL3456255

CCC[C@@H](NC(=O)C1C2CCCC2CN1C(=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 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2256113-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-01 EP disclosed