SCHEMBL4041248

SCHEMBL4041248

CCCC(NC(=O)c1ccc(C(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.55
CTSS P25774 5/20 0.42
CTSL P07711 4/20 0.42
CCR1 P32246 4/20 0.41
PREP P48147 2/20 0.40
FAP Q12884 2/20 0.40
CTSV O60911 2/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 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
SCHEMBL4053535 0.93 CTSK (0.59) CTSKCTSSCTSLCCR1PREP
SCHEMBL4037909 0.92 CTSK (0.55) CTSKCTSSCTSLCCR1PREP
SCHEMBL4039935 0.92 CTSK (0.65) CTSKCTSSCTSLCCR1CTSV
SCHEMBL4044295 0.91 CTSK (0.66) CTSKCTSSCTSLCCR1PREP
SCHEMBL6210696 0.90 CTSK (0.51) CTSKCTSSCTSLCCR1PREP
SCHEMBL4040591 0.90 CTSK (0.53) CTSKCTSSCTSLCCR1PREP
SCHEMBL4041590 0.90 CTSK (0.66) CTSKCTSSCTSLCCR1PREP
SCHEMBL4045453 0.90 CTSK (0.56) CTSKCTSSCTSLCCR1PREP
SCHEMBL4040279 0.89 CTSK (0.54) CTSKCTSSCTSLCCR1PREP
SCHEMBL4044657 0.89 CTSK (0.52) CTSKCTSSCTSLCCR1PREP

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 7 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
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 3/4885CTSL 57/4885

“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.