SCHEMBL4853159

SCHEMBL4853159

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.55
MAPT P10636 1/20 0.48
KLK7 P49862 2/20 0.46
KLK5 Q9Y337 2/20 0.46
CTSS P25774 7/20 0.44
CTSL P07711 4/20 0.44
CTSK P43235 4/20 0.44
CTSB P07858 3/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CAPN1 P07384 1/20 0.42
CAPN2 P17655 1/20 0.42

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
SCHEMBL4850898 0.85 SYK (0.54) SYKMAPTKLK7KLK5ITGB3
SCHEMBL19295567 0.84 SYK (0.71) SYKMAPTKLK7KLK5ITGB3
Isobutane SCHEMBL4853535 0.83 SYK (0.59) SYKMAPTKLK7KLK5CTSK
SCHEMBL12296233 0.83 SYK (0.58) SYKMAPTKLK7KLK5CTSS
SCHEMBL20365967 0.81 SYK (0.72) SYKMAPTKLK7KLK5ITGB3
SCHEMBL20358408 0.81 SYK (0.72) SYKMAPTKLK7KLK5ITGB3
SCHEMBL4857149 0.81 MAPT (0.58) SYKMAPTKLK7KLK5CTSS
SCHEMBL4853174 0.81 SYK (0.56) SYKMAPTKLK7KLK5ITGB3
SCHEMBL14320294 0.80 SYK (0.57) SYKMAPTKLK7KLK5CTSS
SCHEMBL14320293 0.80 SYK (0.57) SYKMAPTKLK7KLK5CTSS

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.