SCHEMBL5552591

SCHEMBL5552591

CC(C)(C)OC(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@H](C=O)C1CCCN1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.55
CTSS P25774 1/20 0.55
CTSK P43235 1/20 0.55
CCKAR P32238 2/20 0.44
CCKBR P32239 1/20 0.44
CASR P41180 1/20 0.43
ACE P12821 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
Hydrochloric Acid SCHEMBL5556676 0.83 DPP4 (0.47) CASR
SCHEMBL5552595 0.77 CTSS (0.63) CTSLCTSSCTSK
SCHEMBL5556766 0.75 CTSS (0.69) CTSLCTSSCTSKCCKBR
SCHEMBL5556732 0.75 CTSS (0.69) CTSLCTSSCTSKCCKBR
SCHEMBL5556628 0.74 CTSS (0.76) CTSLCTSSCTSK
SCHEMBL999047 0.74 CTSS (0.76) CTSLCTSSCTSKACE
SCHEMBL29908025 0.74 CTSS (0.76) CTSLCTSSCTSKACE
SCHEMBL29828648 0.74 CTSS (0.76) CTSLCTSSCTSKACE
SCHEMBL999046 0.74 CTSS (0.76) CTSLCTSSCTSKACE
SCHEMBL3599165 0.74 CTSS (0.76) CTSLCTSSCTSKACE

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 CTSL 226/4885CTSS 596/4885CTSK 306/4885

“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.