SCHEMBL4883932

SCHEMBL4883932

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.59
MAPT P10636 2/20 0.52
KLK7 P49862 2/20 0.47
KLK5 Q9Y337 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.43
IDO1 P14902 1/20 0.43
CTRB1 P17538 2/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 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
SCHEMBL4884444 0.91 KLK7 (0.53) SYKMAPTKLK7KLK5SIRT2
SCHEMBL1021955 0.89 SYK (0.64) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL8646821 0.88 HTT (0.56) SIRT2SIRT1HTTCTRB1
SCHEMBL8646826 0.88 HTT (0.56) SIRT2SIRT1HTTCTRB1
SCHEMBL1022335 0.87 SYK (0.53) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL14447799 0.87 SYK (0.62) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL20556328 0.86 SYK (0.63) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL20556374 0.86 SYK (0.63) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL19345775 0.86 SYK (0.63) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL23161521 0.86 SYK (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 US disclosed
EP-1797110-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AiCuris GmbH & Co. KG (DE) 2007-06-20 EP disclosed
WO-2006034786-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO.KG (DE) 2006-04-06 WO 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-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 SYK 2058/4885MAPT 4840/4885KLK7 4300/4885

“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.