SCHEMBL6749622

SCHEMBL6749622

CC1OCC(=O)C1(C)NC(=O)C(Cc1cccc(O)c1)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSB P07858 13/20 0.42
CTSL P07711 11/20 0.42
CTSS P25774 10/20 0.42
CTSK P43235 9/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGDS O60760 3/20 0.40
ACE2 Q9BYF1 1/20 0.37
CTSV O60911 1/20 0.37

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
SCHEMBL6747702 0.92 CTSL (0.44) CTSBCTSLCTSSCTSKL3MBTL1
SCHEMBL6747828 0.92 CTSL (0.47) CTSBCTSLCTSSCTSKHPGDS
SCHEMBL6751639 0.90 CTSL (0.50) CTSBCTSLCTSSCTSKL3MBTL1
SCHEMBL6747732 0.90 CTSL (0.40) CTSBCTSLCTSSCTSKHPGDS
SCHEMBL6752286 0.90 CTSL (0.51) CTSBCTSLCTSSCTSKHPGDS
SCHEMBL6751875 0.90 CTSB (0.46) CTSBCTSLCTSSCTSKHPGDS
SCHEMBL6988397 0.89 CTSL (0.43) CTSBCTSLCTSSCTSKACE2
SCHEMBL6747821 0.89 CTSL (0.39) CTSBCTSLCTSSCTSKHPGDS
SCHEMBL6752289 0.88 CTSL (0.40) CTSBCTSLCTSSCTSKHPGDS
SCHEMBL6749648 0.87 TRPV1 (0.45) CTSBCTSLCTSSCTSKHPGDS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1362042-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057249-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSB 85/4885CTSL 23/4885CTSS 46/4885

“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.