SCHEMBL13622666

SCHEMBL13622666

CC(C)(C)OC(=O)N[C@@H](CN1Cc2ccccc2S1(=O)=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.45
CRY1 Q16526 1/20 0.45
CRY2 Q49AN0 1/20 0.45
CACNA1H O95180 2/20 0.43
KCNH2 Q12809 1/20 0.43
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
NAMPT P43490 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
PPARA Q07869 3/20 0.36
CTSK P43235 2/20 0.36
PPARG P37231 2/20 0.36
ATM Q13315 2/20 0.36
CTSS P25774 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
ACE P12821 1/20 0.36
DRD2 P14416 3/20 0.36
PPARD Q03181 1/20 0.35

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
SCHEMBL8282965 1.00 PER2 (0.45) PER2CRY1CRY2CACNA1HKCNH2
SCHEMBL8036660 0.81 CTSK (0.34) NAMPTPPARACTSKPPARGATM
SCHEMBL13622653 0.81 CTSK (0.34) NAMPTPPARACTSKPPARGATM
SCHEMBL8270195 0.81 PER2 (0.49) PER2CRY1CRY2CACNA1HKCNH2
SCHEMBL13622671 0.76 TPSAB1 (0.54) TDP1
SCHEMBL8282041 0.76 TPSAB1 (0.54) TDP1
SCHEMBL13622796 0.74 KDM4E (0.44) PER2CRY2NAMPTCTSKCTSS
SCHEMBL13622813 0.74 KDM4E (0.44) PER2CRY2NAMPTCTSKCTSS
SCHEMBL8282107 0.74 KDM4E (0.44) PER2CRY2NAMPTCTSKCTSS
SCHEMBL8242189 0.73 PER2 (0.51) PER2CRY1CRY2CACNA1HKCNH2

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 PER2 1963/4885CRY1 2678/4885CRY2 3659/4885

“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.