SCHEMBL4039194

SCHEMBL4039194

CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1ccco1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.78
CTSS P25774 5/20 0.46
CTSL P07711 4/20 0.42
ALDH1A1 P00352 1/20 0.38
CCR1 P32246 1/20 0.38
CTSV O60911 2/20 0.37
UTS2R Q9UKP6 1/20 0.37
HRH3 Q9Y5N1 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
SCHEMBL5942249 1.00 CTSK (0.78) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL4213537 1.00 CTSK (0.78) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL4213533 1.00 CTSK (0.78) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL4038654 0.92 CTSK (0.66) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL4044433 0.90 CTSK (0.64) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL4045151 0.90 CTSK (0.78) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL4039596 0.89 CTSK (0.62) CTSKCTSSCTSLCTSV
SCHEMBL4219737 0.88 CTSK (1.00) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL5941346 0.88 CTSK (1.00) CTSKCTSSCTSLALDH1A1CCR1
SCHEMBL4041217 0.88 CTSK (1.00) CTSKCTSSCTSLALDH1A1CCR1

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 2/4885CTSS 3/4885CTSL 57/4885

“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.