SCHEMBL14401971

SCHEMBL14401971

CN(C)C(=O)[C@@H](NCl)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.45
ALOX5 P09917 1/20 0.44
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KEAP1 Q14145 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
CCR2 P41597 1/20 0.38
MAPT P10636 3/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL14469909 1.00 ADAM17 (0.45) ADAM17ALOX5CES2CES1KEAP1
SCHEMBL13447237 0.87 ALOX5 (0.44) ADAM17ALOX5CES2CES1KEAP1
SCHEMBL8255644 0.77 ALOX5 (0.47) ALOX5CES2CES1KEAP1NPSR1
SCHEMBL3224065 0.77 CTSK (0.43) ADAM17ALOX5CCR2MAPTKDM4E
SCHEMBL13688900 0.76 ALOX5 (0.50) ADAM17ALOX5CES2CES1KEAP1
SCHEMBL14451014 0.76 ALOX5 (0.50) ADAM17ALOX5CES2CES1KEAP1
Hydrochloric Acid SCHEMBL3209783 0.75 ALOX5 (0.49) ADAM17ALOX5CES2CES1KEAP1
Hydrochloric Acid SCHEMBL3209787 0.75 ALOX5 (0.49) ADAM17ALOX5CES2CES1KEAP1
SCHEMBL16349790 0.74 TSHR (0.40) ADAM17ALOX5NPSR1TP53LMNA
SCHEMBL13686211 0.74 TSHR (0.40) ADAM17ALOX5NPSR1TP53LMNA

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
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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 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 ADAM17 32/4885ALOX5 3997/4885CES2 1377/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP ADAM17 32/4885ALOX5 3997/4885CES2 1377/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ADAM17 32/4885ALOX5 3997/4885CES2 1377/4885

“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.