SCHEMBL5556773

SCHEMBL5556773

CC(C)(C)OC(=O)N[C@@](C)(C(=O)O)c1ccc(Br)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.39
CTSK P43235 7/20 0.37
CTSS P25774 7/20 0.37
CTSB P07858 2/20 0.37
CTSL P07711 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SYK P43405 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.34
DAO P14920 1/20 0.34

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
SCHEMBL3553060 0.75 CTSK (0.44) AKT1CTSKCTSSCTSBCTSL
SCHEMBL4004775 0.75 CTSK (0.44) AKT1CTSKCTSSCTSBCTSL
SCHEMBL1208679 0.75 NPC1 (0.48) AKT1CTSKCTSSCTSBNPC1
SCHEMBL28975483 0.74 KMT2A (0.46) KMT2A
SCHEMBL28975492 0.74 KMT2A (0.46) KMT2A
SCHEMBL3004859 0.72 MEN1 (0.47) AKT1CTSKCTSSCTSBCTSL
SCHEMBL1951583 0.72 CA12 (0.47) AKT1CTSKCTSSCTSBCTSL
SCHEMBL2953752 0.72 CA12 (0.47) AKT1CTSKCTSSCTSBCTSL
SCHEMBL1951666 0.72 CA12 (0.47) AKT1CTSKCTSSCTSBCTSL
SCHEMBL1492685 0.71 DAO (0.45) KMT2ADAO

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 AKT1 1215/4885CTSK 306/4885CTSS 596/4885

“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.