SCHEMBL12600692

SCHEMBL12600692

CCN1C(=O)C2CC(C2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
ELANE P08246 1/20 0.46
CTSG P08311 1/20 0.46
CTRC Q99895 1/20 0.46
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
GMNN O75496 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MGLL Q99685 1/20 0.40
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.35
HTT P42858 3/20 0.33
CYP19A1 P11511 2/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 1/20 0.32
CHRM2 P08172 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
SCHEMBL11934367 0.90 F2 (0.42) F2ELANECTSGCTRCALDH1A1
SCHEMBL8295802 0.80 CYP19A1 (0.42) ALDH1A1HTTCYP19A1TSHR
SCHEMBL18845608 0.79 F2 (0.46) F2ELANECTSGCTRCALDH1A1
SCHEMBL12601406 0.79 F2 (0.46) F2ELANECTSGCTRCALDH1A1
SCHEMBL8283896 0.73 CYP19A1 (0.44) ALDH1A1CYP19A1TSHR
SCHEMBL13710838 0.72
SCHEMBL10031622 0.72 F2 (0.50) F2ELANECTSGCTRCALDH1A1
SCHEMBL878973 0.72 F2 (0.50) F2ELANECTSGCTRCALDH1A1
SCHEMBL14730178 0.72 F2 (0.39) F2ELANECTSGCTRCALDH1A1
SCHEMBL12600962 0.72 CYP19A1 (0.39) F2ELANECTSGCTRCALDH1A1

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
EP-1730142-B1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORP (US) 2011-06-29 EP disclosed
EP-1664092-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-02-02 EP disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 US disclosed
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-08-12 US disclosed
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-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 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 (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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB F2 1629/4885ELANE 196/4885CTSG 953/4885
US-20100204159-A1 ORGANIC COMPOUNDS AND THEIR USES OAT, OTC, AOX1 F2 1674/4885ELANE 169/4885CTSG 1783/4885

“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.