SCHEMBL8298281

SCHEMBL8298281

CC(C)(C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.53
CTSB P07858 9/20 0.52
CTSL P07711 4/20 0.52
CTSK P43235 3/20 0.52
ELANE P08246 2/20 0.52
CTSV O60911 1/20 0.52
PLG P00747 1/20 0.52
CMA1 P23946 1/20 0.52
CTSS P25774 1/20 0.52
CELA1 Q9UNI1 1/20 0.52
MMP2 P08253 1/20 0.42
ANPEP P15144 1/20 0.42

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
SCHEMBL1856122 1.00 ABCG2 (0.53) ABCG2CTSBCTSLCTSKELANE
SCHEMBL14181766 1.00 ABCG2 (0.53) ABCG2CTSBCTSLCTSKELANE
SCHEMBL8253498 0.94 ABCG2 (0.54) ABCG2CTSBCTSLCTSKELANE
SCHEMBL8291016 0.85 ABCG2 (0.47) ABCG2CTSBCTSLCTSKELANE
SCHEMBL12213924 0.85 ABCG2 (0.47) ABCG2CTSBCTSLCTSKELANE
SCHEMBL16474284 0.83 ABCG2 (0.70) ABCG2CTSBCTSLCTSKELANE
SCHEMBL2324929 0.83 ABCG2 (0.70) ABCG2CTSBCTSLCTSKELANE
SCHEMBL16474287 0.83 ABCG2 (0.70) ABCG2CTSBCTSLCTSKELANE
SCHEMBL2324915 0.83 ABCG2 (0.70) ABCG2CTSBCTSLCTSKELANE
SCHEMBL13058622 0.83 ABCG2 (0.70) ABCG2CTSBCTSLCTSKELANE

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-20130116169-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 US disclosed
EP-2573083-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-03-27 EP disclosed
US-8217048-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-10 US disclosed
US-8039623-B2 Peptidomimetics compound; viricides; interference in life cycle og hepatitis c virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 US disclosed
US-8039623-B2 Peptidomimetics compound; viricides; interference in life cycle og hepatitis c virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-18 US disclosed
US-20110104115-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCOROPRATED (US) 2011-05-05 US disclosed
US-7745444-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-29 US disclosed
US-7745444-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-29 US disclosed
US-20080311079-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-18 US disclosed
US-20080311079-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-12-18 US disclosed
US-7378422-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-05-27 US disclosed
US-7378422-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-05-27 US disclosed
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2007-07-12 US disclosed
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED 2007-07-12 US disclosed
US-7208600-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-24 US disclosed
WO-2005035525-A2 2-AMIDO-4-ARYLOXY-1-CARBONYLPYRROLIDINE DERIVATIVES AS INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-21 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-20130116169-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 ABCG2 1904/4885CTSB 39/4885CTSL 16/4885
US-20080311079-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease SERPINB1, PRSS1, SPINT2 ABCG2 1904/4885CTSB 39/4885CTSL 16/4885
US-20070161789-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 ABCG2 1166/4885CTSB 68/4885CTSL 28/4885
US-20110104115-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 ABCG2 1904/4885CTSB 39/4885CTSL 16/4885

“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.