SCHEMBL4039999

SCHEMBL4039999

CCCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.54
CTSS P25774 4/20 0.42
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
PREP P48147 2/20 0.39
FAP Q12884 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 2/20 0.39
GLA P06280 1/20 0.39
CCR1 P32246 2/20 0.36
USP30 Q70CQ3 1/20 0.35
GAA P10253 1/20 0.34
CTSL P07711 3/20 0.34
CTSV O60911 2/20 0.34
SLC5A7 Q9GZV3 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
SCHEMBL4042420 0.94 CTSK (0.46) CTSKCTSSALDH1A1KMT2ASMN1; SMN2
SCHEMBL4053232 0.93 CTSK (0.48) CTSKCTSSALDH1A1KMT2APREP
SCHEMBL4041378 0.93 CTSK (0.44) CTSKCTSSALDH1A1KMT2ASMN1; SMN2
SCHEMBL4039586 0.92 CTSK (0.65) CTSKCTSSALDH1A1KMT2ASMN1; SMN2
SCHEMBL4040706 0.91 CTSK (0.45) CTSKCTSSALDH1A1PREPFAP
SCHEMBL4040241 0.91 CTSK (0.54) CTSKCTSSALDH1A1KMT2ASMN1; SMN2
SCHEMBL4044041 0.91 CTSK (0.43) CTSKALDH1A1KMT2AMEN1PREP
SCHEMBL4042848 0.91 CTSK (0.54) CTSKCTSSALDH1A1KMT2AMEN1
SCHEMBL4045232 0.90 CTSK (0.44) CTSKCTSSALDH1A1PREPFAP
SCHEMBL4039258 0.90 CTSK (0.42) CTSKCTSSALDH1A1PREPFAP

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 8 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
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.