SCHEMBL8280807

SCHEMBL8280807

C#CCCC(N)C(O)C(=O)NCC=C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.36
DNPEP Q9ULA0 2/20 0.36
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
METAP2 P50579 1/20 0.32
ALPL P05186 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LAP3 P28838 2/20 0.30
ATM Q13315 1/20 0.30
RNPEP Q9H4A4 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8281450 1.00 ANPEP (0.36) ANPEPDNPEPKMT2ATSHRSMN1; SMN2
SCHEMBL13251399 0.82 ALPL (0.36) KMT2ATSHRSMN1; SMN2MAPTALPL
SCHEMBL13605024 0.82 ALPL (0.36) KMT2ATSHRSMN1; SMN2MAPTALPL
SCHEMBL12140407 0.82 ALPL (0.36) KMT2ATSHRSMN1; SMN2MAPTALPL
SCHEMBL14523567 0.82 ALPL (0.36) KMT2ATSHRSMN1; SMN2MAPTALPL
SCHEMBL8280558 0.80 ANPEP (0.41) ANPEPDNPEPTSHRSMN1; SMN2MAPT
SCHEMBL13934155 0.80 ANPEP (0.41) ANPEPDNPEPTSHRSMN1; SMN2MAPT
SCHEMBL8280566 0.77 MAPT (0.47) ANPEPDNPEPTSHRSMN1; SMN2MAPT
SCHEMBL12141317 0.77 MAPT (0.47) ANPEPDNPEPTSHRSMN1; SMN2MAPT
SCHEMBL8283817 0.77 PEPD (0.37) ANPEPDNPEPKMT2ATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 US disclosed
EP-1730110-B9 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-11-02 EP disclosed
EP-1730110-B1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2010-06-09 EP disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 US disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 US disclosed
WO-2005087731-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 WO 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-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease PRSS1, PRSS3, HPN ANPEP 85/4885DNPEP 89/4885KMT2A 2664/4885

“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.