SCHEMBL4043714

SCHEMBL4043714

CC(C)CC(C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-])c1cccc(-c2ccccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.42
CTSL P07711 10/20 0.42
CTSS P25774 9/20 0.32
CTSB P07858 3/20 0.32
CTSV O60911 1/20 0.32
PRMT5 O14744 3/20 0.31
WDR77 Q9BQA1 3/20 0.31
KMT2A Q03164 1/20 0.31
GSK3B P49841 1/20 0.30
DYRK1A Q13627 1/20 0.30

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 0.91 CTSK (0.38) CTSKCTSLCTSSCTSB
SCHEMBL4040066 0.90 CTSK (0.39) CTSKCTSLCTSSCTSB
SCHEMBL4042709 0.89 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4042001 0.89 CTSK (0.41) CTSKCTSLCTSSCTSBDYRK1A
SCHEMBL4042013 0.88 CTSK (0.46) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4037702 0.84 CTSK (0.43) CTSKCTSLCTSSKMT2A
SCHEMBL4040975 0.84 CTSK (0.44) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043846 0.84 CTSK (0.44) CTSKCTSLCTSSCTSBPRMT5
SCHEMBL6208543 0.84 CTSK (0.43) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6210776 0.82 CTSK (0.42) CTSKCTSLCTSSCTSBCTSV

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.