SCHEMBL4046973

SCHEMBL4046973

CC(=O)NC(CC(C)C)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N)cc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.64
CTSS P25774 3/20 0.49
POLB P06746 1/20 0.41
CCR1 P32246 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
CACNA1B Q00975 1/20 0.39
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
PPID Q08752 1/20 0.38
PPIG Q13427 1/20 0.38

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
SCHEMBL4044455 0.96 CTSK (0.61) CTSKCTSSPOLBCCR1ACE2
SCHEMBL4042872 0.96 CTSK (0.60) CTSKCTSSPOLBCCR1ACE2
SCHEMBL4042599 0.95 CTSK (0.61) CTSKCTSSPOLBCCR1ACE2
SCHEMBL4040984 0.95 CTSK (0.59) CTSKCTSSPOLBCCR1ACE2
SCHEMBL4043446 0.94 CTSK (0.62) CTSKCTSSPOLBCCR1ACE2
SCHEMBL4039148 0.94 CTSK (0.60) CTSKCTSSPOLBCCR1CACNA1B
SCHEMBL5941756 0.93 CTSK (0.57) CTSKCTSSPOLBCCR1ACE2
SCHEMBL4044852 0.92 CTSK (0.58) CTSKCTSSCTSVCTSL
SCHEMBL4045385 0.92 CTSK (0.62) CTSKCTSSPOLBCCR1CACNA1B
SCHEMBL4039678 0.92 CTSK (0.63) CTSKCTSSPOLBCCR1CACNA1B

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 5 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

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 3/4885POLB 3780/4885

“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.