SCHEMBL4043312

SCHEMBL4043312

CC(C)CC(NC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.51
TLR7 Q9NYK1 1/20 0.41
CTSS P25774 5/20 0.40
CTSL P07711 4/20 0.37
CTSB P07858 1/20 0.36
SCN9A Q15858 2/20 0.36
CCR1 P32246 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL4043290 0.93 CTSK (0.42) CTSKTLR7CTSSCTSLCTSB
SCHEMBL4040788 0.92 CTSK (0.51) CTSKCTSSCTSLCTSBSCN9A
SCHEMBL4045073 0.92 CTSK (0.56) CTSKTLR7CTSSCTSLCTSB
SCHEMBL4038930 0.92 CTSK (0.52) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL4040733 0.91 CTSK (0.53) CTSKCTSSCTSLCTSBSCN9A
SCHEMBL4044810 0.90 CTSK (0.53) CTSKCTSSCTSLCTSB
SCHEMBL4044816 0.89 CTSK (0.65) CTSKCTSSCTSLCTSBCCR1
SCHEMBL4043898 0.89 CTSK (0.54) CTSKCTSSCTSLCTSBCCR1
SCHEMBL4041703 0.89 CTSK (0.53) CTSKCTSSCTSLCTSBCCR1
SCHEMBL4048460 0.88 CTSK (0.62) CTSKTLR7CTSSCTSLSCN9A

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
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US 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 2/4885TLR7 1054/4885CTSS 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.