SCHEMBL5557641

SCHEMBL5557641

COc1ccc(CN(OCc2ccccc2)C(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)NCCC(N)=O)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.45
MMP8 P22894 7/20 0.45
MMP2 P08253 6/20 0.45
MMP1 P03956 9/20 0.43
CTSD P07339 1/20 0.41
FCER2 P06734 1/20 0.40
PTPN1 P18031 2/20 0.40
LCK P06239 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
SCHEMBL5557632 0.91 MMP9 (0.46) MMP9MMP8MMP2MMP1CTSD
SCHEMBL5556455 0.88 CTSB (0.47) MMP9MMP8MMP2MMP1CTSD
SCHEMBL5556660 0.82 MMP2 (0.50) MMP9MMP8MMP2MMP1FCER2
SCHEMBL5558595 0.79 MMP9 (0.59) MMP9MMP8MMP2MMP1FCER2
SCHEMBL5557789 0.78 CTSB (0.40) MMP9MMP8MMP2CTSDLCK
SCHEMBL5556810 0.77 ALDH1A1 (0.46)
SCHEMBL5552416 0.77 ALDH1A1 (0.46)
SCHEMBL5552367 0.76 MMP2 (0.46) MMP9MMP8MMP2MMP1FCER2
SCHEMBL5556812 0.75 MMP3 (0.39) MMP9MMP8MMP2MMP1PTPN1
SCHEMBL5552925 0.75 MMP3 (0.47) MMP9MMP2MMP1PTPN1

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 182/4885MMP8 24/4885MMP2 85/4885

“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.