SCHEMBL1022335

SCHEMBL1022335

CC(C)(C)OC(=O)NCCC[C@@H](CC(=O)NCCN(Cc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
MAPT P10636 2/20 0.48
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
SIRT5 Q9NXA8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
BACE1 P56817 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
SIRT2 Q8IXJ6 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
RECQL P46063 1/20 0.40
SIRT1 Q96EB6 1/20 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
SCHEMBL1024654 0.92 KLK7 (0.49) SYKMAPTKLK7KLK5SIRT2
SCHEMBL4883932 0.87 SYK (0.59) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL1021128 0.86 SIRT5 (0.45) SYKMAPTKLK7KLK5SIRT5
SCHEMBL1023321 0.86 SYK (0.46) SYKMAPTKLK7KLK5SIRT5
SCHEMBL4848854 0.86 SYK (0.46) SYKMAPTKLK7KLK5SIRT5
SCHEMBL1021955 0.84 SYK (0.64) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL14447799 0.82 SYK (0.62) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL4852363 0.82 KLK7 (0.54) MAPTKLK7KLK5SIRT2MMP1
SCHEMBL19057238 0.82 SYK (0.59) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL20556328 0.81 SYK (0.63) SYKMAPTKLK7KLK5SIRT5

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
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP 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 (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 SYK 3060/4885MAPT 4356/4885KLK7 3789/4885

“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.