SCHEMBL4038823

SCHEMBL4038823

CC(C)CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.79
CTSS P25774 3/20 0.60
CTSL P07711 2/20 0.47
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
CCR1 P32246 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AGTR1 P30556 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4216273 1.00 CTSK (0.79) CTSKCTSSCTSLPLA2G1BATG4B
SCHEMBL4216270 1.00 CTSK (0.79) CTSKCTSSCTSLPLA2G1BATG4B
SCHEMBL5941513 1.00 CTSK (0.79) CTSKCTSSCTSLPLA2G1BATG4B
SCHEMBL4040368 0.93 CTSK (0.68) CTSKCTSSCTSLCCR1ALDH1A1
SCHEMBL4037045 0.93 CTSK (0.72) CTSKCTSSCTSLCCR1ALDH1A1
SCHEMBL4046526 0.93 CTSK (0.72) CTSKCTSSCTSLCCR1ALDH1A1
SCHEMBL4041263 0.92 CTSK (0.66) CTSKCTSSCTSLCCR1ALDH1A1
SCHEMBL4043653 0.91 CTSK (0.66) CTSKCTSSCTSLPLA2G1BATG4B
SCHEMBL4044295 0.91 CTSK (0.66) CTSKCTSSCTSLPLA2G1BATG4B
SCHEMBL4037326 0.91 CTSK (0.65) CTSKCTSSCTSLCCR1ALDH1A1

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 3/4885CTSL 57/4885

“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.