SCHEMBL4040633

SCHEMBL4040633

CC(C)CC(NC(=O)c1ccc(-n2ccnc2)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.48
GFER P55789 1/20 0.38
DNMT3B Q9UBC3 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CTSS P25774 1/20 0.37
ROCK2 O75116 1/20 0.37
UBE2N P61088 1/20 0.36
F10 P00742 1/20 0.36
AHR P35869 1/20 0.36
KMT2A Q03164 1/20 0.36
ACE P12821 1/20 0.36

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
SCHEMBL4040494 0.93 CTSK (0.39) CTSKGFERDNMT3BTDP1ROCK2
SCHEMBL4041490 0.90 CTSK (0.51) CTSKCTSSACE
SCHEMBL3951606 0.90 CTSK (0.49) CTSKGFERDNMT3BTDP1CTSS
SCHEMBL4037649 0.89 CTSK (0.51) CTSKCTSSACE
SCHEMBL4043349 0.89 CTSK (0.49) CTSKCTSS
SCHEMBL4043380 0.89 CTSK (0.56) CTSKCTSS
SCHEMBL4040613 0.89 CTSK (0.61) CTSKCTSSKMT2AACE
SCHEMBL4044028 0.88 CTSK (0.50) CTSKGFERDNMT3BTDP1CTSS
SCHEMBL4042580 0.88 CTSK (0.49) CTSKCTSS
SCHEMBL3958840 0.88 CTSK (0.53) CTSKCTSSACE

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 2/4885GFER 803/4885DNMT3B 4401/4885

“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.