SCHEMBL4043840

SCHEMBL4043840

CC(C)CC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.49
CTSS P25774 4/20 0.39
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CTSL P07711 3/20 0.37
CTSB P07858 1/20 0.36
UBE2N P61088 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 1/20 0.35
CCR1 P32246 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
SCHEMBL4039424 0.93 CTSK (0.41) CTSKCTSSGFERTDP1CTSL
SCHEMBL4040883 0.90 CTSK (0.51) CTSKCTSSCTSLCTSB
SCHEMBL4043898 0.89 CTSK (0.54) CTSKCTSSCTSLCTSBCCR1
SCHEMBL4041022 0.89 CTSK (0.59) CTSKCTSSGFERTDP1CTSL
SCHEMBL4041703 0.89 CTSK (0.53) CTSKCTSSCTSLCTSBCCR1
SCHEMBL4044028 0.88 CTSK (0.50) CTSKCTSSGFERTDP1UBE2N
SCHEMBL4037573 0.88 CTSK (0.57) CTSKCTSSCTSL
SCHEMBL4039238 0.88 CTSK (0.50) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL4044816 0.88 CTSK (0.65) CTSKCTSSCTSLCTSBCCR1
SCHEMBL4043586 0.88 CTSK (0.49) CTSKCTSSGFERTDP1CTSL

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 6 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-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 3/4885GFER 803/4885

“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.