SCHEMBL4043165

SCHEMBL4043165

CC(C)CC(NC(=O)c1ccc(-c2cccs2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.56
CTSS P25774 3/20 0.44
CTSB P07858 1/20 0.44
HPGDS O60760 1/20 0.42
CTSL P07711 1/20 0.40
CHRM4 P08173 1/20 0.40
CCR1 P32246 1/20 0.40
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
HTR2A P28223 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
SCHEMBL5941870 1.00 CTSK (0.56) CTSKCTSSCTSBHPGDSCTSL
SCHEMBL5941867 1.00 CTSK (0.56) CTSKCTSSCTSBHPGDSCTSL
SCHEMBL4209894 1.00 CTSK (0.56) CTSKCTSSCTSBHPGDSCTSL
SCHEMBL4039438 0.94 CTSK (0.51) CTSKCTSSCTSBHPGDSCTSL
SCHEMBL4042056 0.92 CTSK (0.49) CTSKCTSSCTSBHPGDSCTSL
SCHEMBL4040890 0.92 CTSK (0.49) CTSKCTSSCTSBHPGDSCTSL
SCHEMBL4041389 0.91 CTSK (0.48) CTSKCTSSCTSBCTSL
SCHEMBL6210948 0.90 CTSK (0.48) CTSKCTSSCTSBHPGDSCTSL
SCHEMBL4039817 0.89 CTSK (0.51) CTSKCTSSCTSBCTSL
SCHEMBL4041427 0.88 CTSK (0.49) CTSKCTSSCTSBHPGDSCTSL

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 8 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
US-7544676-B2 Sulfamoyl benzamides and methods of their use ADOLOR CORPORATION (US) 2009-06-09 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20080058302-A1 Sulfamoyl Benzamides and Methods of Their Use CALIXA THERAPEUTICS, INC. 2008-03-06 US 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 (2 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-20080058302-A1 Sulfamoyl Benzamides and Methods of Their Use CNR2, TRPV1, CNR1 CTSK 2368/4885CTSS 1027/4885CTSB 1342/4885
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.