SCHEMBL4046196

SCHEMBL4046196

CC(C)CC(NC(=O)c1ccc(-c2ccccc2)s1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.56
CTSS P25774 6/20 0.46
CTSL P07711 2/20 0.46
HPGDS O60760 2/20 0.42
CTSB P07858 1/20 0.37
PSMB5 P28074 1/20 0.36
CHRNA7 P36544 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL4044153 0.89 CTSK (0.70) CTSKCTSSCTSLHPGDSCTSB
SCHEMBL8349299 0.89 CTSK (0.70) CTSKCTSSCTSLHPGDSCTSB
SCHEMBL4043170 0.89 CTSK (0.63) CTSKCTSSHPGDSCTSBCHRNA7
SCHEMBL4046026 0.88 CTSK (0.51) CTSKCTSSCTSLCTSBKDM4E
SCHEMBL4046526 0.87 CTSK (0.72) CTSKCTSSCTSLPSMB5KDM4E
SCHEMBL4037045 0.87 CTSK (0.72) CTSKCTSSCTSLPSMB5KDM4E
SCHEMBL4040699 0.87 CTSK (0.55) CTSKCTSSHPGDSCTSBCHRNA7
SCHEMBL4046431 0.87 CTSK (0.60) CTSKCTSSHPGDSCTSBCHRNA7
SCHEMBL4042777 0.86 CTSK (0.57) CTSKCTSSHPGDSCTSBCHRNA7
SCHEMBL4045527 0.86 CTSK (0.60) CTSKCTSSHPGDSCTSBCHRNA7

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-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 3/4885CTSL 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.