SCHEMBL3856468

SCHEMBL3856468

CC(C)(C)OC(=O)CC(C)(C)N1C(=O)CC[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.38
POLB P06746 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL17951050 0.77 PLA2G10 (0.42) ACEPOLBPLA2G10PLA2G5
SCHEMBL18204610 0.77 PLA2G10 (0.42) ACEPOLBPLA2G10PLA2G5
SCHEMBL19862758 0.75 ACE (0.44) ACEPOLBHSD17B10
SCHEMBL23636347 0.75 ACE (0.44) ACEPOLBHSD17B10
SCHEMBL2083897 0.75 ACE (0.44) ACEPOLBHSD17B10
SCHEMBL29564420 0.72 ACE (0.42) ACEPOLBHSD17B10
SCHEMBL18554231 0.72 ACE (0.41) ACE
SCHEMBL1256527 0.72 ACE (0.49) ACEPOLBCHRM2CHRM1CHRM3
SCHEMBL31486522 0.72 ACE (0.49) ACEPOLBCHRM2CHRM1CHRM3
SCHEMBL4174747 0.72 ACE (0.49) ACEPOLBCHRM2CHRM1CHRM3

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-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
CN-1633446-A Novel peptides as inhibitors of hepatitis C virus NS 3-serine protease SCHERING CORP (US) 2005-06-29 CN 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 (2 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ACE 42/4885POLB 4407/4885CHRM2 4878/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ACE 42/4885POLB 4407/4885CHRM2 4878/4885

“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.