SCHEMBL12600696

SCHEMBL12600696

CCN1C(=O)c2cscc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.48
POLB P06746 1/20 0.43
ALDH1A1 P00352 9/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GMNN O75496 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
MGLL Q99685 1/20 0.42
F2 P00734 1/20 0.42
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
CTRC Q99895 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL16356282 0.79 PTGS1 (0.42) POLBALDH1A1LMNAMAPTNPSR1
SCHEMBL8282201 0.76 MPO (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL14881169 0.76 PTGS1 (0.53) ALDH1A1MGLLHPGDTSHRHSD17B10
SCHEMBL14881088 0.76 PTGS1 (0.53) ALDH1A1MGLLHPGDTSHRHSD17B10
SCHEMBL92102 0.73 CYP1B1 (0.67) CYP1B1POLBALDH1A1LMNAMEN1
SCHEMBL29969387 0.73 CYP1B1 (0.67) CYP1B1POLBALDH1A1LMNAMEN1
SCHEMBL10062480 0.73 CYP1B1 (0.67) CYP1B1POLBALDH1A1LMNAMAPT
SCHEMBL6857906 0.73 F2 (0.62) CYP1B1POLBALDH1A1LMNAMAPT
SCHEMBL13409576 0.72 CASP3 (0.44) POLBALDH1A1MAPTMGLLMEN1
Bromide SCHEMBL17510003 0.71 CYP1B1 (0.64) CYP1B1POLBALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013056355-A1 PREPARATION OF HIGH MOLECULAR WEIGHT POLYMERS 8Y DIRECT ARYLATION AND HETEROARYLATION UNIVERSITé LAVAL (CA) 2013-04-25 WO disclosed
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
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 CYP1B1 1542/4885POLB 4046/4885ALDH1A1 2164/4885

“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.