SCHEMBL743583

SCHEMBL743583

CC(C)(C)OC(=O)N[C@H](C=O)CC1CCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.55
CTSS P25774 2/20 0.50
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
KMT2A Q03164 1/20 0.40
AAK1 Q2M2I8 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL13305814 1.00 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL3666041 1.00 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL1861194 0.96 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL1861195 0.96 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8365044 0.96 CTSK (0.55) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8354995 0.94 CTSK (0.57) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL2773107 0.94 CTSK (0.57) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL971301 0.87 CTSK (0.51) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL971299 0.87 CTSK (0.51) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL8246683 0.87 CTSK (0.54) CTSKCTSSCTSLCTSBKMT2A

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
EP-1906945-B1 HCV INHIBITORS VIROBAY INC (US) 2015-08-05 EP disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 US disclosed
US-20120142668-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
EP-2431379-A2 HCV inhibitors Virobay, Inc. (US) 2012-03-21 EP disclosed
EP-2431379-A2 HCV inhibitors Virobay, Inc. (US) 2012-03-21 EP disclosed
WO-2009100225-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 WO disclosed
WO-2009100225-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 WO disclosed
US-20090203629-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 US disclosed
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 US disclosed
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections QUEST DIAGNOSTICS INVESTMENTS LLC 2007-03-08 US disclosed
WO-2007005838-A2 HCV INHIBITORS VIROBAY, INC. (US) 2007-01-11 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 (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-20080161254-A1 HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 CTSK 448/4885CTSS 199/4885CTSL 327/4885
US-20120142668-A1 CATHEPSIN C INHIBITORS CTSE, CTSB, CTSS CTSK 8/4885CTSS 3/4885CTSL 13/4885
US-20070054864-A1 1-[2S-(3-Tert-butylureido)-3,3-dimethylbutyryl]-4R-(7-methoxy-2-pyrazol-1-yl-quinolin-4-yloxy)-pyrrolidine-2S-carboxylic acid (1S-cyclopropylaminooxalylbutyl)amide, for example; useful in treating hepatitis C infections HAVCR2, EIF2AK2, GTF3C1 CTSK 694/4885CTSS 583/4885CTSL 622/4885
US-20090203629-A1 INHIBITORS OF CATHEPSIN B CTSB, CSTB, CTSF CTSK 9/4885CTSS 4/4885CTSL 12/4885

“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.