SCHEMBL4043182

SCHEMBL4043182

CC(C)(C)c1ccc(C(=O)NC(Cc2cccs2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.50
CTSS P25774 2/20 0.39
USP30 Q70CQ3 3/20 0.38
MAPT P10636 2/20 0.36
THRB P10828 1/20 0.35
CTSL P07711 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
F2 P00734 1/20 0.34
NAMPT P43490 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
AURKA O14965 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
SCHEMBL4043933 0.90 CTSK (0.51) CTSKCTSSUSP30MAPTTHRB
SCHEMBL4040456 0.90 CTSK (0.39) CTSKCTSSCTSLHSD17B10MC4R
SCHEMBL4042873 0.90 CTSK (0.48) CTSKCTSSUSP30MAPTTHRB
SCHEMBL4039009 0.89 CTSK (0.41) CTSKCTSSUSP30MAPTCTSL
SCHEMBL4039791 0.89 CTSK (0.64) CTSKCTSSMAPTTHRBCTSL
SCHEMBL4041764 0.88 CTSK (0.51) CTSKCTSSUSP30MAPTCTSL
SCHEMBL4040008 0.88 CTSK (0.53) CTSKCTSSMAPTTHRBCTSL
SCHEMBL4040210 0.88 CTSK (0.53) CTSKCTSSMAPTTHRBCTSL
SCHEMBL4037663 0.87 CTSK (0.51) CTSKCTSSUSP30MAPTTHRB
SCHEMBL4040969 0.87 CTSK (0.51) CTSKCTSSUSP30MAPTMC4R

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 3/4885USP30 2688/4885

“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.