SCHEMBL1024580

SCHEMBL1024580

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
SYK P43405 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.43
CTSK P43235 4/20 0.43
CTSS P25774 3/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
AKT1 P31749 3/20 0.42
CYP3A4 P08684 4/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL1022382 0.97 MMP1 (0.43) MMP1MMP3MMP9SYKMAPT
SCHEMBL4850228 0.91 SYK (0.49) MMP1MMP3MMP9SYKMAPT
SCHEMBL4850221 0.91 SYK (0.49) MMP1MMP3MMP9SYKMAPT
SCHEMBL1020939 0.90 MEN1 (0.51) MMP1MMP3MMP9SYKMAPT
SCHEMBL4856502 0.89 SYK (0.48) MMP1MMP3MMP9SYKMAPT
SCHEMBL1023558 0.88 MAPT (0.45) MMP1MMP3MMP9SYKMAPT
SCHEMBL5066754 0.88 SYK (0.45) MMP1MMP3MMP9SYKMAPT
SCHEMBL1022884 0.84 CTSK (0.53) MMP1MMP3MMP9MEN1KMT2A
SCHEMBL1022823 0.83 AKT1 (0.48) SYKMEN1KMT2ACTSKCTSS
SCHEMBL1020978 0.83 MEN1 (0.46) MMP1MMP3MMP9SYKMAPT

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 MMP1 2538/4885MMP3 1892/4885MMP9 1953/4885

“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.