SCHEMBL14401972

SCHEMBL14401972

CCCCC(NCl)C(O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 8/20 0.42
CTSK P43235 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
CCR2 P41597 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSPA5 P11021 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL13688913 0.88 ADAM17 (0.41) ADAM17CTSKL3MBTL1TSHRKMT2A
SCHEMBL12650712 0.87 CTSK (0.44) ADAM17CTSK
SCHEMBL3218159 0.86 ADAM17 (0.41) ADAM17CTSKL3MBTL1TSHRKMT2A
SCHEMBL4736420 0.86 ADAM17 (0.41) ADAM17CTSKL3MBTL1TSHRKMT2A
Hydrochloric Acid SCHEMBL3214225 0.83 ADAM17 (0.41) ADAM17L3MBTL1TSHRCCR2CYP3A4
SCHEMBL16349790 0.75 TSHR (0.40) ADAM17L3MBTL1TSHRKMT2AHTT
SCHEMBL13686211 0.75 TSHR (0.40) ADAM17L3MBTL1TSHRKMT2AHTT
SCHEMBL13684955 0.73 L3MBTL1 (0.41) ADAM17CTSKL3MBTL1TSHRCCR2
SCHEMBL13684800 0.73 L3MBTL1 (0.41) ADAM17CTSKL3MBTL1TSHRCCR2
SCHEMBL14401971 0.70 ADAM17 (0.45) ADAM17TSHRHTTCCR2CYP3A4

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-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-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 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 32/4885CTSK 243/4885L3MBTL1 1897/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP ADAM17 32/4885CTSK 243/4885L3MBTL1 1897/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ADAM17 32/4885CTSK 243/4885L3MBTL1 1897/4885

“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.