SCHEMBL8282960

SCHEMBL8282960

CC(C)(C)[C@H](N)CN1C(=O)c2ccccc2S1(=O)=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 15/20 0.59
CA9 Q16790 14/20 0.59
ELANE P08246 1/20 0.55
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
CA2 P00918 5/20 0.54
CA1 P00915 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL8245848 0.86 CA12 (0.46) CA12CA9ELANEKMT2ATDP1
SCHEMBL12601260 0.81 CA12 (0.56) CA12CA9ELANEKMT2ATDP1
SCHEMBL13632922 0.81 CA12 (0.56) CA12CA9ELANEKMT2ATDP1
SCHEMBL26232554 0.80 CA12 (0.68) CA12CA9ELANEKMT2ACA2
SCHEMBL12600751 0.78 CA12 (0.52) CA12CA9ELANEKMT2ATDP1
SCHEMBL18026643 0.77 CA12 (0.68) CA12CA9ELANEKMT2ATDP1
SCHEMBL8970514 0.75 CA12 (0.65) CA12CA9ELANECA2CA1
SCHEMBL8865776 0.75 CA12 (0.69) CA12CA9ELANECA2CA1
SCHEMBL30834902 0.75 CA12 (1.00) CA12CA9ELANECA2CA1
SCHEMBL1101896 0.75 CA12 (1.00) CA12CA9ELANECA2CA1

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
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
WO-2005085242-A1 NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-09-15 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-20070093430-A1 Novel ketoamides with cyclic P4's as inhibitors of NS3 serine protease of hepatitis C virus PREP, PRSS1, P4HB CA12 1583/4885CA9 2191/4885ELANE 196/4885

“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.