SCHEMBL5557724

SCHEMBL5557724

CCCC[C@H](CC(=O)N(Cc1ccc(OC)cc1OC)OCc1ccc(OC)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@H](C=O)C1CCCN1Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.36
KLK1 P06870 3/20 0.36
MMP3 P08254 3/20 0.34
MMP2 P08253 3/20 0.34
MMP1 P03956 2/20 0.34
BCHE P06276 1/20 0.34
CASR P41180 1/20 0.33
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
BIRC2 Q13490 1/20 0.32
PSMB8 P28062 2/20 0.32
PSMB5 P28074 2/20 0.32
PSMA1 P25786 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMB4 P28070 1/20 0.32
PSMB10 P40306 1/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5557731 0.86 KLKB1 (0.42) KLKB1KLK1MMP3MMP2MMP1
SCHEMBL5552457 0.84 KLKB1 (0.44) KLKB1KLK1MMP3MMP2MMP1
SCHEMBL5556372 0.84 KLKB1 (0.44) KLKB1KLK1MMP3MMP2MMP1
SCHEMBL5556679 0.83 KLKB1 (0.44) KLKB1KLK1MMP3MMP2MMP1
SCHEMBL5552392 0.82 KLKB1 (0.36) KLKB1KLK1MMP3MMP2MMP1
SCHEMBL5556531 0.81 MMP2 (0.43) KLKB1KLK1MMP3MMP2MMP1
SCHEMBL5557728 0.81 MMP3 (0.35) KLKB1KLK1MMP3MMP2MMP1
SCHEMBL5556605 0.81 MMP2 (0.47) KLKB1KLK1MMP3MMP2MMP1
SCHEMBL5552591 0.73 CTSL (0.55) CASR
SCHEMBL5552925 0.71 MMP3 (0.47) MMP3MMP2MMP1MMP9PTPN1

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 KLKB1 267/4885KLK1 566/4885MMP3 327/4885

“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.