SCHEMBL5552336

SCHEMBL5552336

CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1csc2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
ACE P12821 1/20 0.46
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
KLK5 Q9Y337 1/20 0.41
CMA1 P23946 10/20 0.41
F10 P00742 2/20 0.40
CYP3A4 P08684 1/20 0.40
CALCRL Q16602 1/20 0.40
CTRC Q99895 1/20 0.39

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
SCHEMBL5552413 0.80 MMP2 (0.49) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5558773 0.80 DPP4 (0.66) ACEDPP4DPP8DPP9F10
SCHEMBL6163357 0.78 CTSL (0.60) CTSLCTSSCTSKCYP3A4CALCRL
SCHEMBL6163361 0.78 CTSL (0.60) CTSLCTSSCTSKCYP3A4CALCRL
SCHEMBL3599165 0.76 CTSS (0.76) CTSLCTSSCTSKACE
SCHEMBL29908025 0.76 CTSS (0.76) CTSLCTSSCTSKACE
SCHEMBL29828648 0.76 CTSS (0.76) CTSLCTSSCTSKACE
SCHEMBL999046 0.76 CTSS (0.76) CTSLCTSSCTSKACE
SCHEMBL999047 0.76 CTSS (0.76) CTSLCTSSCTSKACE
SCHEMBL6807070 0.76 CMA1 (0.55) CMA1CTRC

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.