SCHEMBL5552675

SCHEMBL5552675

COc1cccc(OC)c1CNC(=O)C(NC(=O)[C@@H](CC(=O)O)CC(C)C)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 6/20 0.46
MMP2 P08253 6/20 0.46
MMP1 P03956 6/20 0.46
MMP3 P08254 2/20 0.46
MMP14 P50281 1/20 0.46
MMP8 P22894 4/20 0.45
USP2 O75604 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FCER2 P06734 1/20 0.41
ANPEP P15144 2/20 0.41
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MME P08473 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL5552388 0.92 MMP9 (0.58) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5556562 0.85 MMP9 (0.60) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5556556 0.85 MMP9 (0.60) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5552424 0.84 ANPEP (0.53) MMP9MMP2MMP1MMP3MMP8
SCHEMBL5552841 0.81 MMP9 (0.56) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5552883 0.80 GPR88 (0.52) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5556423 0.79 MMP9 (0.52) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5557472 0.79 MMP9 (0.52) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5558416 0.78 MMP9 (0.55) MMP9MMP2MMP1MMP3MMP14
SCHEMBL5558413 0.78 MMP9 (0.55) MMP9MMP2MMP1MMP3MMP14

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 2 patents. 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
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 WO 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 MMP9 182/4885MMP2 85/4885MMP1 950/4885

“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.