SCHEMBL5556372

SCHEMBL5556372

CCCC[C@H](CC(=O)N(Cc1ccc(OC)cc1OC)OCc1ccc(OC)cc1)C(=O)N[C@@H](Cc1csc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.44
KLK1 P06870 3/20 0.44
MMP3 P08254 8/20 0.41
MMP2 P08253 9/20 0.40
CCKBR P32239 5/20 0.40
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
MMP14 P50281 2/20 0.40
CCKAR P32238 3/20 0.39
BIRC2 Q13490 1/20 0.39
MMP1 P03956 6/20 0.38
MMP7 P09237 6/20 0.38

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
SCHEMBL5552457 1.00 KLKB1 (0.44) KLKB1KLK1MMP3MMP2CCKBR
SCHEMBL5556531 0.94 MMP2 (0.43) KLKB1KLK1MMP3MMP2CCKBR
SCHEMBL5556679 0.92 KLKB1 (0.44) KLKB1KLK1MMP3MMP2MMP8
SCHEMBL5557731 0.91 KLKB1 (0.42) KLKB1KLK1MMP3MMP2MMP9
SCHEMBL5557724 0.84 KLKB1 (0.36) KLKB1KLK1MMP3MMP2MMP9
SCHEMBL5556605 0.84 MMP2 (0.47) KLKB1KLK1MMP3MMP2MMP1
SCHEMBL5552925 0.84 MMP3 (0.47) MMP3MMP2MMP9MMP1
SCHEMBL5556566 0.83 CTSD (0.39) KLKB1KLK1MMP3MMP2CCKBR
SCHEMBL5552392 0.82 KLKB1 (0.36) KLKB1KLK1MMP3MMP2CCKBR
SCHEMBL5557728 0.82 MMP3 (0.35) KLKB1KLK1MMP3MMP2MMP9

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.