SCHEMBL4045224

SCHEMBL4045224

CCCC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.42
CTSL P07711 16/20 0.39
CTSS P25774 15/20 0.39
KDM1A O60341 1/20 0.38
CTSB P07858 2/20 0.38
CTSV O60911 1/20 0.38
PREP P48147 1/20 0.37
FAP Q12884 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
SCHEMBL4040883 0.92 CTSK (0.51) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4039424 0.90 CTSK (0.41) CTSKCTSLCTSSKDM1ACTSB
SCHEMBL4042897 0.90 CTSK (0.41) CTSKCTSLCTSSKDM1ACTSB
SCHEMBL4044395 0.89 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4041432 0.88 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043008 0.88 CTSK (0.49) CTSKCTSLCTSS
SCHEMBL4041220 0.88 CTSK (0.45) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042837 0.88 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043647 0.88 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4044537 0.87 CTSK (0.41) CTSKCTSLCTSSKDM1ACTSB

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
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 2/4885CTSL 57/4885CTSS 3/4885

“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.