SCHEMBL4039876

SCHEMBL4039876

CC(C)CC(NC(=O)c1ccc(N2CCCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)c1cccc[n+]1[O-]

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 16/20 0.62
CTSS P25774 3/20 0.47
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
SMYD3 Q9H7B4 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL4044974 0.95 CTSK (0.60) CTSKCTSSCTSL
SCHEMBL4048902 0.95 CTSK (0.59) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4042602 0.94 CTSK (0.59) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4043605 0.91 CTSK (0.64) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4042174 0.90 CTSK (0.77) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4042011 0.89 CTSK (0.77) CTSKCTSSCTSVCTSLCCR1
SCHEMBL8346984 0.89 CTSK (0.77) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4040290 0.88 CTSK (0.66) CTSKCTSSCTSVCTSLCCR1
SCHEMBL4043166 0.88 CTSK (0.65) CTSKCTSSCTSVCTSLSMYD3
SCHEMBL4366565 0.87 CTSK (0.80) CTSKCTSSCTSVCTSLSMYD3

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-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

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 3/4885CTSV 29/4885

“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.