SCHEMBL8283579

SCHEMBL8283579

CC(C)[C@H](N)CN1CCCS1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRY1 Q16526 17/20 0.39
CRY2 Q49AN0 17/20 0.39
PER2 O15055 16/20 0.39
GRIA2 P42262 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
SCHEMBL16315737 0.81 PER2 (0.45) CRY1CRY2PER2
SCHEMBL7850143 0.80 CRY1 (0.43) CRY1CRY2PER2
SCHEMBL8249897 0.80 PER2 (0.44) CRY1CRY2PER2
SCHEMBL30320194 0.77 CRY1 (0.48) CRY1CRY2PER2
SCHEMBL23517930 0.76 PER2 (0.38) CRY1CRY2PER2
SCHEMBL15354742 0.76 PER2 (0.40) CRY1CRY2PER2
SCHEMBL15354733 0.76 PER2 (0.40) CRY1CRY2PER2
SCHEMBL8249780 0.75 CRY1 (0.40) CRY1CRY2PER2
SCHEMBL16297899 0.75 CRY1 (0.40) CRY1CRY2PER2
SCHEMBL8282921 0.75 PER2 (0.38) CRY1CRY2PER2

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-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
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 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 (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 CRY1 2678/4885CRY2 3659/4885PER2 1963/4885

“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.