SCHEMBL4045641

SCHEMBL4045641

CC(C)CC(CC(=O)N1CCC2C=CC=CC2C1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.32
CTSL P07711 9/20 0.32
CTSS P25774 5/20 0.32
CTSB P07858 3/20 0.32
CACNA1B Q00975 1/20 0.31
MAPK14 Q16539 1/20 0.31
KMT2A Q03164 1/20 0.31
CALCRL Q16602 1/20 0.30
CTSV O60911 1/20 0.30

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
SCHEMBL4040398 0.96 CTSK (0.33) CTSKCTSLCTSSCTSBCACNA1B
SCHEMBL4040625 0.90 CTSK (0.38) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4037385 0.87 CTSK (0.32) CTSKCTSLCTSSCTSBMAPK14
SCHEMBL4044245 0.87 REN (0.35) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4039911 0.87 FKBP1A (0.34)
SCHEMBL4044024 0.86 REN (0.38) CTSKCTSLCTSSKMT2ACALCRL
SCHEMBL4044115 0.86 CTSK (0.34) CTSKCTSLCTSSCTSBKMT2A
SCHEMBL4040399 0.86 CTSK (0.39) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4043258 0.85 KDM4E (0.39) CTSKKMT2A
SCHEMBL4039387 0.84 ALDH1A1 (0.41) KMT2A

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 7 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
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 2/4885CTSL 57/4885CTSS 3/4885

“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.