SCHEMBL4044660

SCHEMBL4044660

CC(C)CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cc[n+]([O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.64
CTSS P25774 1/20 0.49
CA1 P00915 3/20 0.37
CA2 P00918 2/20 0.37
TRPV4 Q9HBA0 1/20 0.37
CTSL P07711 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
HSD11B1 P28845 1/20 0.35

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
SCHEMBL4040650 0.93 CTSK (0.65) CTSKCTSSCA1CA2CTSL
SCHEMBL4042230 0.91 CTSK (0.52) CTSKCTSSCA1CA2CA12
SCHEMBL5942163 0.90 CTSK (0.75) CTSKCTSSCA1CA2CTSL
SCHEMBL5942166 0.90 CTSK (0.75) CTSKCTSSCA1CA2CTSL
SCHEMBL4214206 0.90 CTSK (0.75) CTSKCTSSCA1CA2CTSL
SCHEMBL4037673 0.90 CTSK (0.75) CTSKCTSSCA1CA2CTSL
SCHEMBL4043894 0.90 CTSK (0.52) CTSKCTSSCA1CA2CTSL
SCHEMBL4037421 0.90 CTSK (0.64) CTSKCTSSCA1CA2CTSL
SCHEMBL4045514 0.89 CTSK (0.55) CTSKCTSSCA1CA2CTSL
SCHEMBL4045856 0.89 CTSK (0.65) CTSKCTSSHSD11B1

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 5 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-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP 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 3/4885CA1 60/4885

“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.