SCHEMBL4043052

SCHEMBL4043052

CC(C)(C)c1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)Cc2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.52
CTSS P25774 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
ACE P12821 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
LHCGR P22888 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
ITGB1 P05556 2/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGB5 P18084 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
SCHEMBL4043733 0.94 CTSK (0.51) CTSKCTSSALDH1A1HTTSMN1; SMN2
SCHEMBL4039691 0.93 CTSK (0.50) CTSKCTSSALDH1A1HTTSMN1; SMN2
SCHEMBL4038140 0.93 CTSK (0.50) CTSKCTSSALDH1A1HTTSMN1; SMN2
SCHEMBL4039586 0.90 CTSK (0.65) CTSKCTSSALDH1A1HTTSMN1; SMN2
SCHEMBL4039999 0.89 CTSK (0.54) CTSKCTSSALDH1A1HTTSMN1; SMN2
SCHEMBL4040241 0.89 CTSK (0.54) CTSKCTSSALDH1A1HTTSMN1; SMN2
SCHEMBL4039969 0.89 CTSK (0.54) CTSKCTSSACE
SCHEMBL4046634 0.88 CTSK (0.51) CTSKCTSSALDH1A1HTTSMN1; SMN2
SCHEMBL4045247 0.88 CTSK (0.52) CTSKCTSSACELHCGRUSP30
SCHEMBL4039023 0.88 CTSK (0.50) CTSKCTSSALDH1A1HTTACE

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 3/4885ALDH1A1 4151/4885

“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.