SCHEMBL4042848

SCHEMBL4042848

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.54
PREP P48147 2/20 0.37
FAP Q12884 2/20 0.37
CCR1 P32246 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
CTSV O60911 2/20 0.34
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
MCHR1 Q99705 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
SLC5A7 Q9GZV3 1/20 0.33
CCKBR P32239 1/20 0.33
P2RY12 Q9H244 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
SCHEMBL4053232 0.93 CTSK (0.48) CTSKPREPFAPCCR1GAA
SCHEMBL4043273 0.92 CTSK (0.65) CTSKCCR1KMT2ACTSLCTSS
SCHEMBL4041378 0.92 CTSK (0.44) CTSKPREPFAPCCR1GAA
SCHEMBL4039999 0.91 CTSK (0.54) CTSKPREPFAPCCR1GAA
SCHEMBL4040706 0.91 CTSK (0.45) CTSKPREPFAPCCR1GAA
SCHEMBL4042420 0.90 CTSK (0.46) CTSKPREPFAPCCR1GAA
SCHEMBL4044041 0.90 CTSK (0.43) CTSKPREPFAPCCR1GAA
SCHEMBL4045232 0.89 CTSK (0.44) CTSKPREPFAPCCR1CTSV
SCHEMBL4039258 0.89 CTSK (0.42) CTSKPREPFAPCCR1GAA
SCHEMBL4044464 0.89 CTSK (0.56) CTSKPREPFAPCTSVCTSL

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 2/4885PREP 1823/4885FAP 3455/4885

“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.