SCHEMBL8247349

SCHEMBL8247349

CC(C)N1CCN(C[C@@H](N)C(C)(C)C)S1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRY1 Q16526 4/20 0.40
CRY2 Q49AN0 4/20 0.40
PER2 O15055 2/20 0.33
HTR5A P47898 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
SCHEMBL8246557 0.79 PER2 (0.40) CRY1CRY2PER2HTR5A
SCHEMBL13622573 0.78 CRY1 (0.45) CRY1CRY2PER2HTR5A
SCHEMBL8283804 0.76 CRY1 (0.40) CRY1CRY2PER2HTR5A
SCHEMBL8253155 0.74
SCHEMBL8271463 0.73 CRY1 (0.43) CRY1CRY2PER2
SCHEMBL8249897 0.69 PER2 (0.44) CRY1CRY2PER2
SCHEMBL13122597 0.69 CRY1 (0.33) CRY1CRY2
SCHEMBL13622571 0.68 CRY1 (0.47) CRY1CRY2PER2HTR5A
SCHEMBL8249780 0.68 CRY1 (0.40) CRY1CRY2PER2
SCHEMBL16297899 0.68 CRY1 (0.40) 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 6 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-2006130553-A2 HCV PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130628-A2 COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130554-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 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.