SCHEMBL5066754

SCHEMBL5066754

CC(C)(C)OC(=O)NCCC[C@@H](CNC(=O)C[C@H](CCCNC(=O)[C@H](CCCNC(=O)OC(C)(C)C)N(Cc1ccccc1)C(=O)O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
ATM Q13315 1/20 0.42
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
MAPT P10636 1/20 0.41
CTSK P43235 4/20 0.40
CTSS P25774 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
AKT1 P31749 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1023558 0.93 MAPT (0.45) SYKATMMMP1MMP3MMP9
SCHEMBL4850228 0.93 SYK (0.49) SYKATMMMP1MMP3MMP9
SCHEMBL4850221 0.93 SYK (0.49) SYKATMMMP1MMP3MMP9
SCHEMBL1072867 0.88 SYK (0.47) SYKATMMMP1MMP3MMP9
SCHEMBL4853602 0.88 SYK (0.47) SYKATMMMP1MMP3MMP9
SCHEMBL1024580 0.88 MMP1 (0.44) SYKATMMMP1MMP3MMP9
SCHEMBL4848854 0.86 SYK (0.46) SYKATMMMP1MMP3MMP9
SCHEMBL1023321 0.86 SYK (0.46) SYKATMMMP1MMP3MMP9
SCHEMBL1020939 0.86 MEN1 (0.51) SYKMMP1MMP3MMP9MAPT
SCHEMBL1022382 0.85 MMP1 (0.43) SYKATMMMP1MMP3MMP9

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 3247/4885ATM 2150/4885MMP1 2601/4885

“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.