SCHEMBL4043478

SCHEMBL4043478

COc1ccc(C(=O)NC(CC(C)C)C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.64
CTSS P25774 6/20 0.48
CTSL P07711 4/20 0.47
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
CDK5 Q00535 1/20 0.42
PAX8 Q06710 1/20 0.42
CDK5R1 Q15078 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CCR1 P32246 1/20 0.39

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
SCHEMBL4037084 0.93 CTSK (0.65) CTSKCTSSCTSLPKMALDH1A1
SCHEMBL4037045 0.92 CTSK (0.72) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL4046526 0.92 CTSK (0.72) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL4040163 0.92 CTSK (0.61) CTSKCTSSCTSLNPC1RAB9A
SCHEMBL4040591 0.92 CTSK (0.53) CTSKCTSSCTSLNPC1PKM
SCHEMBL4041263 0.91 CTSK (0.66) CTSKCTSSCTSLKMT2AALDH1A1
SCHEMBL4048460 0.91 CTSK (0.62) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL4037326 0.91 CTSK (0.65) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL4039935 0.91 CTSK (0.65) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL5941513 0.90 CTSK (0.79) CTSKCTSSCTSLSMN1; SMN2KMT2A

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.