SCHEMBL4042149

SCHEMBL4042149

CC(C)CC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccc[n+]1[O-]

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.49
CTSS P25774 1/20 0.38
UBE2N P61088 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
ROCK2 O75116 1/20 0.35
KDM1A O60341 1/20 0.35
CCR1 P32246 1/20 0.34
DNMT3B Q9UBC3 1/20 0.34

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
SCHEMBL4039333 0.93 CTSK (0.40) CTSKCTSSUBE2NTDP1GFER
SCHEMBL4037567 0.89 CTSK (0.48) CTSKCTSSUBE2NTDP1GFER
SCHEMBL4042360 0.89 CTSK (0.52) CTSKCTSSCCR1
SCHEMBL4042385 0.88 CTSK (0.54) CTSKCTSSCCR1
SCHEMBL4043397 0.88 CTSK (0.58) CTSKCTSS
SCHEMBL4040074 0.87 CTSK (0.54) CTSKCTSSCCR1
SCHEMBL4042530 0.87 CTSK (0.54) CTSKCTSSCCR1
SCHEMBL4040973 0.87 CTSK (0.52) CTSKCTSSKMT2ACCR1
SCHEMBL4046758 0.87 CTSK (0.65) CTSKCTSSCCR1
SCHEMBL4042542 0.86 CTSK (0.50) CTSKCTSSCCR1

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-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

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 3/4885UBE2N 2416/4885

“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.