SCHEMBL13622674

SCHEMBL13622674

CC(C)(C)OC(=O)N[C@@H](CN1CCCCS1(=O)=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PER2 O15055 7/20 0.36
CRY1 Q16526 7/20 0.36
CRY2 Q49AN0 7/20 0.36
CYP2D6 P10635 1/20 0.35
PREP P48147 1/20 0.34
CTSS P25774 3/20 0.33
CALCA P06881 1/20 0.33

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
SCHEMBL8282033 1.00 CTSK (0.41) CTSKCTSLCTSBCA1CA2
SCHEMBL13622636 0.96 CTSK (0.39) CTSKCTSLCTSBCA1CA2
SCHEMBL8282004 0.96 CTSK (0.39) CTSKCTSLCTSBCA1CA2
SCHEMBL13622641 0.82 CA1 (0.50) CTSKCTSLCTSBCA1CA2
SCHEMBL8283754 0.82 CA1 (0.50) CTSKCTSLCTSBCA1CA2
SCHEMBL13622697 0.80 CTSK (0.37) CTSKCTSLCTSBCA1CA2
SCHEMBL12601000 0.80 CTSK (0.37) CTSKCTSLCTSBCA1CA2
SCHEMBL13684451 0.77 PER2 (0.40) PER2CRY1CRY2
SCHEMBL8282064 0.77 CA1 (0.38) CTSKCTSLCTSBCA1CA2
SCHEMBL13622721 0.77 CA1 (0.38) CTSKCTSLCTSBCA1CA2

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 3 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-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 949/4885CTSL 332/4885CTSB 584/4885

“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.