SCHEMBL4040757

SCHEMBL4040757

CC(C)CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.60
CTSS P25774 2/20 0.45
HPGDS O60760 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CTSL P07711 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL4043413 0.95 CTSK (0.62) CTSKCTSSMAPTCTSL
SCHEMBL4039082 0.93 CTSK (0.62) CTSKCTSSCTSL
SCHEMBL4041850 0.92 CTSK (0.59) CTSKCTSSMAPTCTSL
SCHEMBL4361906 0.88 CTSK (0.76) CTSKCTSSHPGDSALDH1A1MAPT
SCHEMBL4361912 0.88 CTSK (0.76) CTSKCTSSHPGDSALDH1A1MAPT
SCHEMBL4041612 0.88 CTSK (0.76) CTSKCTSSHPGDSALDH1A1MAPT
SCHEMBL5941884 0.88 CTSK (0.76) CTSKCTSSHPGDSALDH1A1MAPT
SCHEMBL4043810 0.88 CTSK (0.64) CTSKCTSSCTSL
SCHEMBL4046498 0.88 CTSK (0.78) CTSKCTSSTP53CTSL
SCHEMBL4040498 0.87 CTSK (0.57) CTSKCTSSF10

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-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
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 3/4885HPGDS 603/4885

“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.