SCHEMBL4040263

SCHEMBL4040263

CC(C)CC(NC(=O)c1ccc(N2CCNCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.62
CTSS P25774 3/20 0.49
ALDH1A1 P00352 2/20 0.44
PREP P48147 2/20 0.39
FAP Q12884 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR1 P32246 1/20 0.37
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36

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
SCHEMBL4039983 0.94 CTSK (0.66) CTSKCTSSALDH1A1PREPFAP
SCHEMBL4037757 0.92 CTSK (0.63) CTSKCTSSALDH1A1PREPFAP
SCHEMBL4042665 0.92 CTSK (0.63) CTSKCTSSCTSL
SCHEMBL4040434 0.91 CTSK (0.64) CTSKCTSSPREPFAPCTSL
SCHEMBL4368915 0.91 CTSK (0.75) CTSKCTSSALDH1A1CCR1CTSV
SCHEMBL5941816 0.91 CTSK (0.75) CTSKCTSSALDH1A1CCR1CTSV
SCHEMBL4368912 0.91 CTSK (0.75) CTSKCTSSALDH1A1CCR1CTSV
SCHEMBL4044020 0.91 CTSK (0.75) CTSKCTSSALDH1A1CCR1CTSV
SCHEMBL4043042 0.88 CTSK (0.68) CTSKCTSSALDH1A1PREPFAP
SCHEMBL4215663 0.87 CTSK (0.82) 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 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.