SCHEMBL5552402

SCHEMBL5552402

CC(C)C[C@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.66
CTSK P43235 2/20 0.66
CTSL P07711 1/20 0.66
REN P00797 6/20 0.57
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
CCKBR P32239 4/20 0.51
APP P05067 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
F10 P00742 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5556766 0.89 CTSS (0.69) CTSSCTSKCTSLRENCCKBR
SCHEMBL5556732 0.89 CTSS (0.69) CTSSCTSKCTSLRENCCKBR
SCHEMBL5556628 0.84 CTSS (0.76) CTSSCTSKCTSLMMP2MMP9
SCHEMBL5552378 0.83 CTSS (0.64) CTSSCTSKRENMMP2MMP9
SCHEMBL6021385 0.83 CTSS (0.77) CTSSCTSKCTSLMMP2MMP9
SCHEMBL5556975 0.82 MMP2 (0.56) CTSSCTSKCTSLMMP2MMP9
SCHEMBL999047 0.82 CTSS (0.76) CTSSCTSKCTSLMMP2MMP9
SCHEMBL3599165 0.82 CTSS (0.76) CTSSCTSKCTSLMMP2MMP9
SCHEMBL29908025 0.82 CTSS (0.76) CTSSCTSKCTSLMMP2MMP9
SCHEMBL29828648 0.82 CTSS (0.76) CTSSCTSKCTSLMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF CTSS 596/4885CTSK 306/4885CTSL 226/4885

“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.