SCHEMBL4853174

SCHEMBL4853174

CC(C)(C)OC(=O)NCCC[C@@H](CNC(=O)[C@H](CNC(=O)OCc1ccccc1)N(C(=O)O)C(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.56
MAPT P10636 1/20 0.51
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 2/20 0.45
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
FOLH1 Q04609 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40

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
SCHEMBL19295567 0.88 SYK (0.71) SYKMAPTKLK7KLK5ITGB3
SCHEMBL4850916 0.87 SYK (0.52) SYKMAPTKLK7KLK5ITGB3
SCHEMBL1023116 0.85 SYK (0.43) SYKMAPTATM
SCHEMBL20358408 0.84 SYK (0.72) SYKMAPTKLK7KLK5ITGB3
SCHEMBL20365967 0.84 SYK (0.72) SYKMAPTKLK7KLK5ITGB3
SCHEMBL4850228 0.83 SYK (0.49) SYKMAPTATM
SCHEMBL4850221 0.83 SYK (0.49) SYKMAPTATM
SCHEMBL19295602 0.82 SYK (0.73) SYKMAPTKLK7KLK5ITGB3
SCHEMBL1024124 0.82 CTSS (0.49) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL4848456 0.82 CTSS (0.49) SYKMAPTKLK7KLK5L3MBTL1

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 4 patents. 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
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 US disclosed
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 (3 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 SYK 3060/4885MAPT 4356/4885KLK7 3789/4885
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 SYK 2058/4885MAPT 4840/4885KLK7 4300/4885
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.