SCHEMBL16300655

SCHEMBL16300655

CC(=O)[C@@H]1CC(=O)CN1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.39
ANPEP P15144 4/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PRSS1 P07477 1/20 0.31
TPSAB1 Q15661 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 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
SCHEMBL11168789 0.86 ATM (0.44) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL8404080 0.81 MMP2 (0.57) MMP2ANPEP
SCHEMBL8404078 0.81 MMP2 (0.57) MMP2ANPEP
SCHEMBL8404107 0.81 MMP2 (0.57) MMP2ANPEP
SCHEMBL13804335 0.78 CHRM2 (0.39) MMP2ANPEPSMN1; SMN2
SCHEMBL15829069 0.78 CHRM2 (0.39) MMP2ANPEPSMN1; SMN2
SCHEMBL13059380 0.78 CHRM2 (0.39) MMP2ANPEPSMN1; SMN2
SCHEMBL16300580 0.78 ATM (0.32) ATMPOLBTDP1
SCHEMBL12401915 0.77 MMP2 (0.40) MMP2ANPEPDPP4DPP8DPP9
SCHEMBL21515905 0.77 MMP2 (0.40) MMP2ANPEPDPP4DPP8DPP9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MMP2 425/4885ANPEP 22/4885DPP4 26/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP MMP2 425/4885ANPEP 22/4885DPP4 26/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP MMP2 425/4885ANPEP 22/4885DPP4 26/4885

“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.