SCHEMBL13622653

SCHEMBL13622653

CC(C)(C)OC(=O)N[C@@H](CN1Cc2sccc2S1(=O)=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.34
CTSS P25774 4/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
ABCB1 P08183 1/20 0.32
PPARA Q07869 5/20 0.32
PPARG P37231 4/20 0.32
AAK1 Q2M2I8 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
ACE P12821 1/20 0.31
ATM Q13315 1/20 0.31
CTSL P07711 1/20 0.31
PPARD Q03181 2/20 0.31
NAMPT P43490 1/20 0.31
PREP P48147 1/20 0.31

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
SCHEMBL8036660 1.00 CTSK (0.34) CTSKCTSSCA1CA2CA7
SCHEMBL13622666 0.81 PER2 (0.45) CTSKCTSSPPARAPPARGACE
SCHEMBL8282965 0.81 PER2 (0.45) CTSKCTSSPPARAPPARGACE
SCHEMBL13622636 0.69 CTSK (0.39) CTSKCTSSCA1CA2CA7
SCHEMBL8282004 0.69 CTSK (0.39) CTSKCTSSCA1CA2CA7
SCHEMBL8282033 0.69 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL13622721 0.69 CA1 (0.38) CTSKCTSSCA1CA2CA7
SCHEMBL8282064 0.69 CA1 (0.38) CTSKCTSSCA1CA2CA7
SCHEMBL13622674 0.69 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL13622671 0.68 TPSAB1 (0.54) CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619094-B2 Ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus SCHERING CORPORATION (US) 2009-11-17 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus MERCK SHARP & DOHME CORP. 2007-04-26 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 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 (1 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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB CTSK 949/4885CTSS 182/4885CA1 1718/4885

“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.