SCHEMBL4044747

SCHEMBL4044747

CC(C)CC(C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1ccccn1)c1cccc(-c2ccncc2)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.45
CTSL P07711 16/20 0.41
CTSS P25774 11/20 0.41
CTSB P07858 5/20 0.41
CTSV O60911 2/20 0.40
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 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
SCHEMBL4042265 0.96 CTSK (0.49) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040439 0.92 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042013 0.92 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4040031 0.89 CTSK (0.40) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4043447 0.89 CTSK (0.40) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL6279950 0.88 CTSK (0.36) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043172 0.86 CTSK (0.41) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4040048 0.86 CTSK (0.42) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4039968 0.85 CTSK (0.41) CTSKCTSLCTSSCTSBPSEN1
SCHEMBL4040066 0.85 CTSK (0.39) 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 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-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-2010185-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS Boehringer Ingelheim International GmbH (DE) 2009-01-07 EP disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO 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.