SCHEMBL4042445

SCHEMBL4042445

CC(C)CC(NC(=O)c1ccc(N)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)C1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.61
CTSS P25774 4/20 0.46
POLB P06746 1/20 0.45
CTSL P07711 3/20 0.42
CTSV O60911 2/20 0.42
CACNA1B Q00975 1/20 0.40
CCR1 P32246 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PPID Q08752 1/20 0.38
PPIG Q13427 1/20 0.38
TSHR P16473 1/20 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
SCHEMBL4042805 0.99 CTSK (0.61) CTSKCTSSPOLBCTSLCTSV
SCHEMBL4043973 0.91 CTSK (0.61) CTSKCTSSPOLBCTSLCACNA1B
SCHEMBL4042985 0.90 CTSK (0.60) CTSKCTSSPOLBCTSLCTSV
SCHEMBL4042649 0.90 CTSK (0.74) CTSKCTSSPOLBCTSLCTSV
SCHEMBL5941609 0.90 CTSK (0.75) CTSKCTSSPOLBCTSLCTSV
SCHEMBL5941706 0.90 CTSK (0.75) CTSKCTSSPOLBCTSLCTSV
SCHEMBL4221380 0.90 CTSK (0.75) CTSKCTSSPOLBCTSLCTSV
SCHEMBL5941709 0.90 CTSK (0.75) CTSKCTSSPOLBCTSLCTSV
SCHEMBL5941601 0.90 CTSK (0.75) CTSKCTSSPOLBCTSLCTSV
SCHEMBL4036982 0.90 CTSK (0.75) CTSKCTSSPOLBCTSLCTSV

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 3/4885POLB 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.