SCHEMBL6752285

SCHEMBL6752285

CC1OCC(=O)C1(C)NC(=O)C(Cc1cccc(O)c1)NC(=O)c1cncc(-c2cccs2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.39
CTSL P07711 8/20 0.36
CTSS P25774 5/20 0.36
CTSV O60911 3/20 0.35
CTSB P07858 3/20 0.35
CDK2 P24941 1/20 0.34
HCK P08631 1/20 0.34
NR2C2 P49116 1/20 0.34
BTK Q06187 1/20 0.34
EPHA2 P29317 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
PIN1 Q13526 1/20 0.33
BRAF P15056 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL6753451 0.93 CDK2 (0.41) HPGDSCTSLCTSSCDK2HCK
SCHEMBL6752379 0.91 HPGDS (0.48) HPGDSCTSLCTSSCTSBCDK2
SCHEMBL6752296 0.86 CTSK (0.43) CTSLCTSSCTSBHCKNR2C2
SCHEMBL6698609 0.84 HPGDS (0.37) HPGDSCTSLCTSSCTSVCTSB
SCHEMBL6752373 0.83 HPGDS (0.49) HPGDSCTSLCTSSCTSBCDK2
SCHEMBL6747828 0.82 CTSL (0.47) HPGDSCTSLCTSSCTSVCTSB
SCHEMBL6753477 0.81 HPGDS (0.39) HPGDSCTSLCTSSCTSVCTSB
SCHEMBL6752287 0.81 HPGDS (0.38) HPGDSCTSLCTSSCTSVCTSB
SCHEMBL6752457 0.80 HPGDS (0.39) HPGDSCTSLCTSSCTSVCTSB
SCHEMBL6752286 0.80 CTSL (0.51) HPGDSCTSLCTSSCTSBCTSK

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 HPGDS 1248/4885CTSL 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.