SCHEMBL4041764

SCHEMBL4041764

CC(C)(C)c1ccc(C(=O)NC(Cc2cccs2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2ccc[n+]([O-])c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.51
USP30 Q70CQ3 4/20 0.40
CTSS P25774 3/20 0.39
MAPT P10636 2/20 0.36
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4042759 0.90 CTSK (0.39) CTSKUSP30CTSSCTSVCTSL
SCHEMBL4043485 0.89 CTSK (0.41) CTSKUSP30CTSSMAPTCTSV
SCHEMBL4039133 0.89 CTSK (0.51) CTSKUSP30CTSSMAPTCTSV
SCHEMBL4040650 0.88 CTSK (0.65) CTSKCTSSCTSVCTSL
SCHEMBL4037036 0.88 CTSK (0.54) CTSKUSP30CTSSCTSVCTSL
SCHEMBL4043182 0.88 CTSK (0.50) CTSKUSP30CTSSMAPTCTSL
SCHEMBL4038812 0.88 CTSK (0.54) CTSKCTSSCTSVCTSL
SCHEMBL4039780 0.87 CTSK (0.52) CTSKCTSSMAPTCTSVCTSL
SCHEMBL4039737 0.86 CTSK (0.51) CTSKUSP30CTSSMAPTMEN1
SCHEMBL4040497 0.85 CTSK (0.50) CTSKCTSSMAPTCTSLMEN1

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 4 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

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 2/4885USP30 2688/4885CTSS 3/4885

“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.