SCHEMBL4041389

SCHEMBL4041389

CC(C)CC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.48
CTSS P25774 8/20 0.40
CTSB P07858 2/20 0.40
CTSL P07711 4/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4039438 0.93 CTSK (0.51) CTSKCTSSCTSBCTSL
SCHEMBL4042303 0.92 CTSK (0.40) CTSKCTSSCTSBCTSLHSD17B10
SCHEMBL4040456 0.92 CTSK (0.39) CTSKCTSSCTSBCTSLHSD17B10
SCHEMBL4050314 0.92 CTSS (0.39) CTSKCTSSCTSBCTSLHSD17B10
SCHEMBL5941867 0.91 CTSK (0.56) CTSKCTSSCTSBCTSL
SCHEMBL5941870 0.91 CTSK (0.56) CTSKCTSSCTSBCTSL
SCHEMBL4043165 0.91 CTSK (0.56) CTSKCTSSCTSBCTSL
SCHEMBL4209894 0.91 CTSK (0.56) CTSKCTSSCTSBCTSL
SCHEMBL4045015 0.90 CTSK (0.49) CTSKCTSSCTSBCTSL
SCHEMBL4042901 0.90 CTSK (0.47) CTSKCTSSCTSBCTSL

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1901752-A4 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION NOVARTIS AG (CH) 2009-07-08 EP claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
EP-1901752-A2 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION Novartis AG (CH) 2008-03-26 EP claimed
WO-2007120160-A2 LACTAM CONTAINING HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 WO claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US 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
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CTSS 3/4885CTSB 21/4885

“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.