SCHEMBL4042991

SCHEMBL4042991

CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)C1CC=CC1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.75
CTSS P25774 3/20 0.43
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CTSL P07711 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 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
SCHEMBL4225171 1.00 CTSK (0.75) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4225175 1.00 CTSK (0.75) CTSKCTSSPOLBCCR1CTSL
SCHEMBL5941641 1.00 CTSK (0.75) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4224416 0.95 CTSK (0.70) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4224410 0.95 CTSK (0.70) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4224414 0.95 CTSK (0.70) CTSKCTSSPOLBCCR1CTSL
SCHEMBL5941846 0.95 CTSK (0.70) CTSKCTSSPOLBCCR1CTSL
SCHEMBL4223090 0.94 CTSK (0.78) CTSKCTSSPOLBCCR1CTSL
SCHEMBL5942134 0.94 CTSK (0.78) CTSKCTSSPOLBCCR1CTSL
SCHEMBL5942130 0.94 CTSK (0.78) CTSKCTSSPOLBCCR1CTSL

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.