SCHEMBL5058975

SCHEMBL5058975

CC(C)(C)OC(=O)NCC(O)CNC(=O)[C@H](CCCNC(=O)OCc1ccccc1)NC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.54
MAPT P10636 1/20 0.53
KLK7 P49862 2/20 0.51
KLK5 Q9Y337 2/20 0.51
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
FOLH1 Q04609 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46

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
SCHEMBL13289745 0.87 SYK (0.56) SYKMAPTKLK7KLK5MMP1
SCHEMBL4857149 0.84 MAPT (0.58) SYKMAPTKLK7KLK5MMP1
SCHEMBL1021954 0.84 SYK (0.51) SYKMAPTKLK7KLK5FOLH1
SCHEMBL7026898 0.84 SYK (0.70) SYKMAPTCTSLCTSS
SCHEMBL30500935 0.84 SYK (0.70) SYKMAPTCTSLCTSS
SCHEMBL7910002 0.84 SYK (0.70) SYKMAPTCTSLCTSS
SCHEMBL16124431 0.83 MAPT (0.60) MAPTKLK7KLK5CPB1CPB2
SCHEMBL30902797 0.83 MAPT (0.62) MAPTKLK7KLK5CPB1CPB2
SCHEMBL30902907 0.83 MAPT (0.65) MAPTKLK7KLK5CPB1CPB2
SCHEMBL12148814 0.83 MAPT (0.62) MAPTKLK7KLK5CPB1CPB2

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-20080306040-A1 Antibacterial amide macrocycles VII AICURIS GMBH & CO. KG (DE) 2008-12-11 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-20080306040-A1 Antibacterial amide macrocycles VII AADAC, AAAS, NOD2 SYK 3247/4885MAPT 4392/4885KLK7 2611/4885

“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.