SCHEMBL4040066

SCHEMBL4040066

CC(C)CC(C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-])c1cccc(-c2ccncc2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.39
CTSS P25774 10/20 0.39
CTSL P07711 8/20 0.39
CTSB P07858 5/20 0.39
LARS1 Q9P2J5 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ROCK2 O75116 2/20 0.33
DRD4 P21917 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
SCHEMBL4041250 0.95 CTSK (0.38) CTSKCTSSCTSLCTSBDRD4
SCHEMBL4042001 0.93 CTSK (0.41) CTSKCTSSCTSLCTSBROCK2
SCHEMBL4043714 0.90 CTSK (0.42) CTSKCTSSCTSLCTSB
SCHEMBL4039968 0.89 CTSK (0.41) CTSKCTSSCTSLCTSBLARS1
SCHEMBL4044747 0.85 CTSK (0.45) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL4040137 0.84 CTSK (0.40) CTSKCTSSCTSLCTSBLARS1
SCHEMBL4043172 0.84 CTSK (0.41) CTSKCTSSCTSLCTSBLARS1
SCHEMBL4040095 0.83 CTSK (0.42) CTSKCTSSCTSLCTSBPSEN1
SCHEMBL4040031 0.82 CTSK (0.40) CTSKCTSSCTSLCTSBLARS1
SCHEMBL4043447 0.82 CTSK (0.40) CTSKCTSSCTSLCTSBLARS1

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.