SCHEMBL5556745

SCHEMBL5556745

CC(C)C[C@H](NC(=O)[C@@](C)(NC(=O)[C@H](CC(=O)NO)CC1CCC1)c1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.42
MMP1 P03956 6/20 0.42
MMP3 P08254 4/20 0.42
MMP9 P14780 5/20 0.42
MMP8 P22894 5/20 0.42
FCER2 P06734 3/20 0.41
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
LTA4H P09960 2/20 0.38
IDE P14735 1/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
BMP1 P13497 1/20 0.36

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
SCHEMBL5552631 1.00 MMP2 (0.42) MMP2MMP1MMP3MMP9MMP8
SCHEMBL5558824 0.92 MMP2 (0.43) MMP2MMP1MMP3PSEN1PSEN2
SCHEMBL5558426 0.89 MMP1 (0.52) MMP2MMP1MMP3MMP9MMP8
SCHEMBL5552717 0.89 MMP1 (0.52) MMP2MMP1MMP3MMP9MMP8
SCHEMBL5556802 0.82 MMP2 (0.50) MMP2MMP1MMP3MMP9MMP8
SCHEMBL5557500 0.80 MMP2 (0.47) MMP2MMP1MMP3MMP9MMP8
SCHEMBL5552331 0.80 MMP2 (0.47) MMP2MMP1MMP3MMP9MMP8
SCHEMBL6245527 0.80 MMP2 (0.47) MMP2MMP1MMP3MMP9MMP8
SCHEMBL5558074 0.77 MMP2 (0.38) MMP2MMP1MMP9MMP8FCER2
SCHEMBL5552411 0.75 MMP1 (0.42) MMP2MMP1MMP3MMP9IDE

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 MMP2 85/4885MMP1 950/4885MMP3 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.