SCHEMBL6749600

SCHEMBL6749600

CC(=O)C(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.59
CTSK P43235 3/20 0.59
CTSB P07858 2/20 0.59
CTSL P07711 1/20 0.59
ACE P12821 1/20 0.57
KLK5 Q9Y337 2/20 0.55
ATM Q13315 1/20 0.55
PPARA Q07869 2/20 0.52
AKT1 P31749 1/20 0.52
EPHX2 P34913 1/20 0.52
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.50
REN P00797 1/20 0.50
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL6747688 1.00 CTSS (0.59) CTSSCTSKCTSBCTSLACE
SCHEMBL18207176 0.91 ACE (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL18207175 0.91 ACE (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL22803056 0.90 KLK5 (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL16460505 0.89 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL29830619 0.89 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL16460506 0.89 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL26144452 0.88 CTSK (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL22791589 0.88 CTSS (0.57) CTSSCTSKCTSBCTSLACE
SCHEMBL18435382 0.86 CTSS (0.68) CTSSCTSKCTSBCTSLACE

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 CTSS 46/4885CTSK 5/4885CTSB 85/4885

“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.