SCHEMBL5556658

SCHEMBL5556658

NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.74
MAPT P10636 2/20 0.70
GAA P10253 1/20 0.70
HTT P42858 1/20 0.70
MMP2 P08253 12/20 0.70
MMP9 P14780 12/20 0.70
MMP14 P50281 12/20 0.70
MMP8 P22894 11/20 0.70
LMNA P02545 1/20 0.68
MMP11 P24347 2/20 0.67
ECE1 P42892 1/20 0.66
MMP7 P09237 1/20 0.66
CA2 P00918 1/20 0.64

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
SCHEMBL5399966 0.98 NMBR (0.71) NMBRMAPTGAAHTTMMP2
SCHEMBL29472048 0.96 NMBR (0.73) NMBRMAPTGAAHTTMMP2
SCHEMBL1711383 0.96 NMBR (0.73) NMBRMAPTGAAHTTMMP2
SCHEMBL5381814 0.96 NMBR (0.73) NMBRMAPTGAAHTTMMP2
SCHEMBL5379426 0.93 MMP2 (0.66) NMBRMAPTGAAHTTMMP2
SCHEMBL14595066 0.92 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL5384805 0.90 CCKBR (0.66) NMBRMAPTGAAHTTMMP2
SCHEMBL14595064 0.90 NMBR (0.74) NMBRMAPTGAAHTTMMP2
SCHEMBL31326046 0.90 NMBR (0.74) NMBRMAPTGAAHTTLMNA
SCHEMBL5380441 0.90 NMBR (0.74) NMBRMAPTGAAHTTMMP2

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 NMBR 4026/4885MAPT 4430/4885GAA 1083/4885

“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.