SCHEMBL4044063

SCHEMBL4044063

CC(C)CC(NC(=O)c1ccc(N2CCNCC2)cc1)C(=O)N1CCC2C1C(=O)CN2C(=O)C(N)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.54
CTSS P25774 3/20 0.42
SMYD3 Q9H7B4 1/20 0.42
CTSV O60911 2/20 0.39
CTSL P07711 2/20 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
SCHEMBL4043011 0.99 CTSK (0.54) CTSKCTSSSMYD3CTSVCTSL
SCHEMBL4040594 0.95 CTSK (0.57) CTSKCTSSSMYD3CTSVCTSL
SCHEMBL4040870 0.94 CTSK (0.58) CTSKCTSSSMYD3CTSVCTSL
SCHEMBL4042565 0.92 CTSK (0.54) CTSKCTSSSMYD3CTSVCTSL
SCHEMBL4038682 0.92 CTSK (0.62) CTSKCTSSSMYD3CTSL
SCHEMBL4041507 0.91 CTSK (0.55) CTSKCTSSSMYD3CTSVCTSL
SCHEMBL4040401 0.91 CTSK (0.63) CTSKCTSSSMYD3CTSL
SCHEMBL4039098 0.90 CTSK (0.53) CTSKCTSSCTSVCTSL
SCHEMBL4042677 0.90 CTSK (0.57) CTSKCTSSSMYD3CTSL
SCHEMBL4040260 0.89 CTSK (0.54) CTSKCTSSSMYD3CTSVCTSL

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 3/4885SMYD3 4011/4885

“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.