SCHEMBL13622649

SCHEMBL13622649

COC(=O)c1sccc1S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
EDNRA P25101 3/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 3/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.36
CCKBR P32239 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
SCHEMBL8282034 1.00 MAPT (0.43) MAPTEDNRAKMT2AMEN1TAS2R8
SCHEMBL13622652 0.84 PTPRB (0.37) MAPTCA1CA2CA4CA7
SCHEMBL8036692 0.84 PTPRB (0.37) MAPTCA1CA2CA4CA7
SCHEMBL8047616 0.83 CA1 (0.35) CA1CA2CA4CA7CA9
SCHEMBL13622650 0.83 CA1 (0.35) CA1CA2CA4CA7CA9
SCHEMBL8282924 0.80 CA9 (0.45) MAPTKMT2AMEN1CA1CA2
SCHEMBL13622665 0.80 CA9 (0.45) MAPTKMT2AMEN1CA1CA2
SCHEMBL12601403 0.79 MAPT (0.47) MAPTEDNRAKMT2AMEN1TAS2R8
SCHEMBL8282962 0.74 CA12 (0.41) MAPTKMT2AMEN1CA1CA2
SCHEMBL13622669 0.74 CA12 (0.41) MAPTKMT2AMEN1CA1CA2

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
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-7592419-B2 Macrocyclic inhibitors of hepatitis C virus NS3-serine protease SCHERING CORPORATION (US) 2009-09-22 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 MAPT 4375/4885EDNRA 3592/4885KMT2A 1104/4885

“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.