SCHEMBL1024058

SCHEMBL1024058

CC(C)(C)OC(=O)NCC[C@@H](C(=O)NCC(O)CNC(=O)OC(C)(C)C)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
IDO1 P14902 1/20 0.44
AKT1 P31749 3/20 0.44
CTSS P25774 5/20 0.43
CTSL P07711 3/20 0.43
CTSB P07858 3/20 0.43
CTSK P43235 3/20 0.42
ATM Q13315 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL1020978 0.94 MEN1 (0.46) SYKIDO1AKT1CTSSCTSL
SCHEMBL1022568 0.89 CTSS (0.47) SYKIDO1AKT1CTSSCTSL
SCHEMBL1021954 0.88 SYK (0.51) SYKMEN1KMT2AGAA
SCHEMBL1020939 0.83 MEN1 (0.51) SYKIDO1AKT1CTSSCTSL
SCHEMBL4850221 0.81 SYK (0.49) SYKIDO1AKT1CTSSCTSL
SCHEMBL4850228 0.81 SYK (0.49) SYKIDO1AKT1CTSSCTSL
SCHEMBL1022823 0.81 AKT1 (0.48) SYKIDO1AKT1CTSSCTSL
SCHEMBL1024146 0.81 AKT1 (0.48) SYKIDO1AKT1CTSSCTSL
SCHEMBL1022884 0.81 CTSK (0.53) AKT1CTSSCTSLCTSBCTSK
SCHEMBL4856502 0.80 SYK (0.48) SYKIDO1AKT1CTSSCTSL

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 3060/4885IDO1 2481/4885AKT1 4247/4885

“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.