SCHEMBL353103

SCHEMBL353103

C[SiH](C)OC(C1C(Cc2ccccc2)CC(=O)N1C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 9/20 0.43
KLK5 Q9Y337 7/20 0.43
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
PLA2G10 O15496 1/20 0.37
PLA2G5 P39877 1/20 0.37
STS P08842 1/20 0.37
CTRB1 P17538 2/20 0.35
GPR119 Q8TDV5 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34

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
SCHEMBL352413 0.79 BUB1 (0.33)
SCHEMBL8119035 0.74 RORC (0.37) NR1H2NR1H3
SCHEMBL247530 0.74 KLK7 (0.54) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL6861568 0.72 YAP1 (0.41)
SCHEMBL1149816 0.71 RIPK1 (0.38) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL10387738 0.71 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL7334611 0.71 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL10386719 0.71 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL353105 0.71 KLK7 (0.44) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL353104 0.70 KLK7 (0.44) KLK7KLK5PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618152-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-31 US disclosed
EP-1636208-B1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMA (US) 2012-02-29 EP disclosed
US-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-19 US disclosed
EP-2332935-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-15 EP disclosed
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-01-22 US disclosed
EP-1636208-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE Vertex Pharmaceuticals Incorporated (US) 2006-03-22 EP disclosed
US-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS, INCORPORATED 2005-04-28 US disclosed
WO-2004092162-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS, INCORPORATED (US) 2004-10-28 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 (3 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-20120014914-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASES PRSS1, SERPINB1, SPINT2 KLK7 1004/4885KLK5 580/4885PRSS1 1/4885
US-20050090450-A1 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease PRSS1, SERPINB1, SPINT2 KLK7 985/4885KLK5 543/4885PRSS1 1/4885
US-20090022688-A1 INHIBITORS OF SERINE PROTEASE, PARTICULARLY HCV NS3-NS4A PROTEASE PRSS1, SERPINB1, SPINT2 KLK7 935/4885KLK5 500/4885PRSS1 1/4885

“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.