SCHEMBL4047843

SCHEMBL4047843

CCC(NC(C)=O)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)Oc1ccc(-c2ccccc2)s1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.49
CTSL P07711 7/20 0.38
CTSS P25774 6/20 0.38
CTSB P07858 2/20 0.38
ACE2 Q9BYF1 2/20 0.38
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 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
SCHEMBL4049584 0.97 CTSK (0.51) CTSKCTSLCTSSCTSBACE2
SCHEMBL4051840 0.94 CTSK (0.48) CTSKCTSLCTSSCTSBACE2
SCHEMBL4039890 0.93 CTSK (0.48) CTSKCTSLCTSSCTSBACE2
SCHEMBL4043538 0.93 CTSK (0.49) CTSKCTSLCTSSCTSBACE2
SCHEMBL4041987 0.93 CTSK (0.47) CTSKCTSLCTSSCTSBACE2
SCHEMBL4047665 0.92 CTSK (0.51) CTSKCTSLCTSSCTSBACE2
SCHEMBL4047203 0.92 CTSK (0.48) CTSKCTSLCTSSCTSBACE2
SCHEMBL4041942 0.91 CTSK (0.49) CTSKCTSLCTSSCTSBMEN1
SCHEMBL4043104 0.90 CTSK (0.47) CTSKCTSLCTSSCTSBACE2
SCHEMBL4042895 0.90 CTSK (0.51) CTSKCTSLCTSSCTSBACE2

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 3 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
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

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 2/4885CTSL 57/4885CTSS 3/4885

“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.