SCHEMBL5557360

SCHEMBL5557360

CC(C)[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.66
CTSK P43235 5/20 0.66
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP14 P50281 1/20 0.48
CASP3 P42574 1/20 0.47
REN P00797 2/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
CTSL P07711 2/20 0.46
CTSD P07339 1/20 0.46
CYP3A4 P08684 1/20 0.45
CCKBR P32239 2/20 0.44
MME P08473 1/20 0.44

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
SCHEMBL5552378 0.87 CTSS (0.64) CTSSCTSKMMP9MMP8MMP14
SCHEMBL5556848 0.87 CTSS (0.67) CTSSCTSKMMP9MMP8MMP14
SCHEMBL17137918 0.85 CTSS (0.77) CTSSCTSKMMP9MMP8MMP14
SCHEMBL17137921 0.85 CTSS (0.77) CTSSCTSKMMP9MMP8MMP14
SCHEMBL9962256 0.85 CTSK (0.59) CTSSCTSKMMP9MMP8MMP14
SCHEMBL8554176 0.84 CTSS (0.74) CTSSCTSKMMP9MMP8MMP14
SCHEMBL4600435 0.82 CTSS (0.76) CTSSCTSKCTSLCYP3A4MME
SCHEMBL29401990 0.82 CTSS (0.76) CTSSCTSKCTSLCYP3A4MME
SCHEMBL4122289 0.82 CTSS (0.76) CTSSCTSKCTSLCYP3A4MME
SCHEMBL613640 0.82 CTSS (0.76) CTSSCTSKCTSLCYP3A4MME

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 1 patent. 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

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 306/4885MMP9 182/4885

“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.