SCHEMBL4852363

SCHEMBL4852363

CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)NCCN(Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.54
KLK5 Q9Y337 2/20 0.54
MAPT P10636 1/20 0.54
SIRT2 Q8IXJ6 2/20 0.49
CPB1 P15086 1/20 0.49
CPB2 Q96IY4 1/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
CTSL P07711 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL1021681 0.97 KLK7 (0.51) KLK7KLK5MAPTSIRT2CPB1
SCHEMBL1021946 0.94 CTSS (0.51) KLK7KLK5MAPTSIRT2CPB1
SCHEMBL1024654 0.92 KLK7 (0.49) KLK7KLK5MAPTSIRT2CPB1
SCHEMBL1023528 0.92 KLK7 (0.47) KLK7KLK5MAPTSIRT2CTSS
SCHEMBL3951637 0.87 MAPT (0.51) KLK7KLK5MAPTCTSKITGB3
SCHEMBL5996732 0.87 CTSK (0.61) KLK7KLK5MAPTCPB1CPB2
SCHEMBL4857149 0.86 MAPT (0.58) KLK7KLK5MAPTSIRT2CPB1
SCHEMBL25502674 0.86 MAPT (0.60) KLK7KLK5MAPTSIRT2CPB1
SCHEMBL16124431 0.86 MAPT (0.60) KLK7KLK5MAPTCPB1CPB2
SCHEMBL30902907 0.86 MAPT (0.65) KLK7KLK5MAPTSIRT2CPB1

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-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 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-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC KLK7 3789/4885KLK5 2790/4885MAPT 4356/4885

“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.