SCHEMBL4041367

SCHEMBL4041367

CC(C)CC(C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1)c1cccc(-c2cccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.41
CTSL P07711 3/20 0.41
CTSS P25774 2/20 0.41
CTSB P07858 1/20 0.34
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
DHPS P49366 4/20 0.33
MAPK1 P28482 1/20 0.32
CYP11B1 P15538 2/20 0.32
CTSA P10619 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
NTSR1 P30989 1/20 0.32

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
SCHEMBL4040031 0.94 CTSK (0.40) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4040048 0.93 CTSK (0.42) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4040975 0.91 CTSK (0.44) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4042098 0.90 CTSK (0.44) CTSKCTSLCTSSCTSBCYP11B1
SCHEMBL4040439 0.89 CTSK (0.43) CTSKCTSLCTSSCTSB
SCHEMBL4040736 0.88 CTSK (0.42) CTSKCTSLCTSSMMP1MMP3
SCHEMBL4044401 0.88 CTSK (0.41) CTSKCTSLCTSSCTSBMMP1
SCHEMBL4038914 0.88 CTSK (0.44) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4043982 0.87 CTSK (0.41) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4042685 0.87 CTSK (0.40) CTSKCTSLCTSSCTSBPSEN1

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 2/4885CTSL 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.