SCHEMBL4037567

SCHEMBL4037567

CC(C)CC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccc[n+]([O-])c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.48
UBE2N P61088 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CTSS P25774 1/20 0.38
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM1A O60341 1/20 0.35
DNMT3B Q9UBC3 1/20 0.35
ROCK2 O75116 1/20 0.34

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
SCHEMBL4043324 0.92 CTSK (0.40) CTSKUBE2NTDP1CTSSGFER
SCHEMBL3951606 0.90 CTSK (0.49) CTSKUBE2NTDP1CTSSGFER
SCHEMBL4042149 0.89 CTSK (0.49) CTSKUBE2NTDP1CTSSGFER
SCHEMBL4040991 0.89 CTSK (0.52) CTSKCTSS
SCHEMBL4038667 0.88 CTSK (0.54) CTSKCTSSKMT2A
SCHEMBL4039332 0.87 CTSK (0.53) CTSKCTSS
SCHEMBL4042980 0.87 CTSK (0.53) CTSKCTSS
SCHEMBL4040792 0.86 CTSK (0.51) CTSKCTSSKMT2A
SCHEMBL4046458 0.86 CTSK (0.59) CTSKCTSS
SCHEMBL4040650 0.86 CTSK (0.65) CTSKCTSS

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
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885UBE2N 2416/4885TDP1 4715/4885

“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.