SCHEMBL4044593

SCHEMBL4044593

O=C(NC(CC1CC1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.45
CTSL P07711 16/20 0.45
CTSV O60911 3/20 0.45
CTSK P43235 17/20 0.44
CTSB P07858 2/20 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
SCHEMBL4038837 0.91 CTSK (0.55) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4041886 0.90 CTSK (0.45) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4041707 0.89 CTSS (0.43) CTSSCTSLCTSVCTSK
SCHEMBL4043711 0.89 CTSS (0.43) CTSSCTSLCTSVCTSK
SCHEMBL4043276 0.89 CTSK (0.56) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4041519 0.88 CTSK (0.42) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4043735 0.87 CTSS (0.44) CTSSCTSLCTSVCTSK
SCHEMBL4041846 0.85 CTSK (0.42) CTSSCTSLCTSVCTSKCTSB
SCHEMBL4042557 0.85 CTSS (0.45) CTSSCTSLCTSVCTSK
SCHEMBL4049935 0.85 CTSK (0.53) CTSSCTSLCTSVCTSK

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 CTSS 3/4885CTSL 57/4885CTSV 29/4885

“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.