SCHEMBL12601431

SCHEMBL12601431

CCN1C(=O)c2ccsc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 5/20 0.47
CES1 P23141 1/20 0.45
POLB P06746 1/20 0.42
ALDH1A1 P00352 8/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.42
TNFRSF1A P19438 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
MPI P34949 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40

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
SCHEMBL13859027 0.84 MEN1 (0.41) CES1POLBALDH1A1MEN1KMT2A
SCHEMBL14560516 0.83 ALDH1A1 (0.45) CES1ALDH1A1MEN1KMT2ATSHR
SCHEMBL8283569 0.82 ALDH1A1 (0.44) CES1ALDH1A1MEN1KMT2ATNFRSF1A
SCHEMBL20434462 0.81 CDC25A (0.47) CES1ALDH1A1TSHRHPGDMGLL
SCHEMBL20434474 0.81 CDC25A (0.47) CES1ALDH1A1TSHRHPGDMGLL
SCHEMBL20434455 0.81 CDC25A (0.47) CES1ALDH1A1TSHRHPGDMGLL
SCHEMBL19333903 0.78 CA12 (0.58) CES1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19011346 0.76 ALDH1A1 (0.43) CES1ALDH1A1MEN1KMT2ATSHR
SCHEMBL18034951 0.75 CES1 (0.48) CES1ALDH1A1MEN1KMT2ATSHR
SCHEMBL10062480 0.72 CYP1B1 (0.67) CYP1B1POLBALDH1A1MEN1KMT2A

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
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 1542/4885CES1 20/4885POLB 4046/4885

“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.