SCHEMBL4041937

SCHEMBL4041937

CC(C)(C)c1ccc(C(=O)NC(Cc2cccs2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.52
CTSS P25774 15/20 0.42
CTSL P07711 15/20 0.42
USP30 Q70CQ3 1/20 0.40
CTSV O60911 1/20 0.39
CTSB P07858 1/20 0.39

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
SCHEMBL4040158 0.90 CTSK (0.41) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4041322 0.90 CTSK (0.51) CTSKCTSSCTSLUSP30CTSV
SCHEMBL4046634 0.90 CTSK (0.51) CTSKCTSSCTSLUSP30CTSV
SCHEMBL4041519 0.90 CTSK (0.42) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4041948 0.88 CTSK (0.67) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4043276 0.88 CTSK (0.56) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4042837 0.88 CTSK (0.56) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4039969 0.87 CTSK (0.54) CTSKCTSSCTSLCTSVCTSB
SCHEMBL4043182 0.87 CTSK (0.50) CTSKCTSSCTSLUSP30
SCHEMBL4040859 0.86 CTSK (0.53) CTSKCTSSCTSLUSP30CTSV

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 7 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
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 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 2/4885CTSS 3/4885CTSL 57/4885

“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.