SCHEMBL6698003

SCHEMBL6698003

CC(C)CC(NC(=O)c1ccc(N(C)C)cc1)C(=O)NC12CCCC1OCC2=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.45
CTSK P43235 15/20 0.42
CTSB P07858 3/20 0.42
CTSS P25774 3/20 0.42
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6699225 0.89 CTSK (0.53) CTSLCTSKCTSBCTSS
SCHEMBL6701483 0.88 CTSK (0.54) CTSLCTSKCTSBCTSS
SCHEMBL6294857 0.88 CTSL (0.47) CTSLCTSKCTSBCTSS
SCHEMBL6294822 0.86 CTSB (0.49) CTSLCTSKCTSBCTSSHPGD
SCHEMBL6294795 0.86 CTSB (0.49) CTSLCTSKCTSBCTSSHPGD
SCHEMBL6701120 0.85 CTSB (0.49) CTSLCTSKCTSBCTSSALDH1A1
SCHEMBL6699096 0.85 CTSL (0.45) CTSLCTSKCTSBCTSSKMT2A
SCHEMBL6703701 0.84 CTSL (0.44) CTSLCTSKCTSBCTSS
SCHEMBL6695685 0.83 CTSB (0.45) CTSLCTSKCTSBCTSSHPGD
SCHEMBL6294793 0.83 CTSB (0.45) CTSLCTSKCTSBCTSSHPGD

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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 US disclosed
EP-1358176-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057246-A2 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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 CTSL 15/4885CTSK 46/4885CTSB 33/4885

“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.