SCHEMBL6747838

SCHEMBL6747838

CC(C)CC(NC(=O)c1ccc(C(C)C)cc1)C(=O)NC1(C)C(=O)COC1C

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.57
CTSL P07711 6/20 0.45
CTSS P25774 3/20 0.45
CTSB P07858 3/20 0.45
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL6751788 0.90 CTSB (0.47) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6753487 0.90 CTSL (0.56) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6751662 0.89 CTSK (0.58) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6751345 0.88 CTSK (0.45) CTSKCTSLCTSSCTSB
SCHEMBL6753439 0.88 CTSK (0.48) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6752408 0.87 TAS1R3 (0.53) CTSKCTSLCTSSCTSB
SCHEMBL6751339 0.85 CTSL (0.44) CTSKCTSLCTSSCTSBCASP1
SCHEMBL6747731 0.85 CTSL (0.42) CTSKCTSLCTSSCTSB
SCHEMBL6749621 0.85 CTSK (0.45) CTSKCTSLCTSSCTSB
SCHEMBL6751274 0.83 CTSK (0.50) CTSKCTSLCTSSCTSB

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 CTSK 5/4885CTSL 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.