SCHEMBL13622695

SCHEMBL13622695

CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)NC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.57
CA12 O43570 2/20 0.57
CA7 P43166 1/20 0.57
CA14 Q9ULX7 1/20 0.57
SYK P43405 1/20 0.53
CA2 P00918 6/20 0.48
ACHE P22303 5/20 0.48
CA9 Q16790 1/20 0.48
PPARA Q07869 2/20 0.45
CTSL P07711 2/20 0.45
ATM Q13315 2/20 0.45
MAPT P10636 2/20 0.45
CTSS P25774 3/20 0.43
BCL2 P10415 1/20 0.41
PPARG P37231 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL8282978 1.00 CA1 (0.57) CA1CA12CA7CA14SYK
SCHEMBL2724479 0.82 SYK (0.72) SYKPPARACTSLATMMAPT
SCHEMBL2724477 0.82 SYK (0.72) SYKPPARACTSLATMMAPT
SCHEMBL18493490 0.82 SYK (0.72) SYKPPARACTSLATMMAPT
SCHEMBL8283799 0.81 CA1 (0.56) CA1CA12CA7CA14SYK
SCHEMBL8225131 0.78 SYK (0.55) SYKPPARACTSLATMMAPT
SCHEMBL13622709 0.78 SYK (0.44) CA1CA12CA7CA14SYK
SCHEMBL8284170 0.78 SYK (0.44) CA1CA12CA7CA14SYK
SCHEMBL29206826 0.77 CA1 (0.58) CA1CA12CA7CA14SYK
SCHEMBL8066895 0.77 CA1 (0.68) CA1CA12CA7CA14SYK

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 CA1 1718/4885CA12 1583/4885CA7 2444/4885

“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.