SCHEMBL4042350

SCHEMBL4042350

CCC(NC(C)=O)C(=O)N1CC(=O)C2C1CCN2C(=O)C(CC(C)C)NC(=O)c1ccc(N2CCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.59
SMYD3 Q9H7B4 1/20 0.44
CTSS P25774 3/20 0.43
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL4043716 0.97 CTSK (0.62) CTSKSMYD3CTSSCTSVCTSL
SCHEMBL4039963 0.94 CTSK (0.57) CTSKSMYD3CTSS
SCHEMBL4042514 0.94 CTSK (0.65) CTSKCTSSCTSL
SCHEMBL4041581 0.94 CTSK (0.56) CTSKSMYD3CTSS
SCHEMBL4040771 0.93 CTSK (0.57) CTSKSMYD3CTSS
SCHEMBL4041801 0.92 CTSK (0.58) CTSKSMYD3CTSSCTSVCTSL
SCHEMBL4041746 0.92 CTSK (0.60) CTSKSMYD3CTSSCTSVCTSL
SCHEMBL4037932 0.92 CTSK (0.56) CTSKSMYD3CTSSCTSVCTSL
SCHEMBL4046396 0.91 CTSK (0.61) CTSKSMYD3CTSSCTSVCTSL
SCHEMBL4043303 0.91 CTSK (0.58) CTSKSMYD3CTSSCTSVCTSL

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 8 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
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 2/4885SMYD3 4011/4885CTSS 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.