SCHEMBL1024146

SCHEMBL1024146

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.48
IDO1 P14902 1/20 0.48
CTSS P25774 5/20 0.46
CTSL P07711 3/20 0.46
CTSB P07858 3/20 0.46
SYK P43405 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.44
CTSK P43235 4/20 0.43
MALT1 Q9UDY8 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
MAPT P10636 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
SCHEMBL1857776 0.93 MEN1 (0.51) AKT1IDO1CTSSCTSLCTSB
SCHEMBL1854421 0.85 MEN1 (0.50) AKT1IDO1CTSSCTSLCTSB
SCHEMBL1022823 0.83 AKT1 (0.48) AKT1IDO1CTSSCTSLCTSB
SCHEMBL17951345 0.82 CTSS (0.43) AKT1IDO1CTSSMEN1KMT2A
SCHEMBL1024058 0.81 SYK (0.45) AKT1IDO1CTSSCTSLCTSB
SCHEMBL1024008 0.81 KMT2A (0.48) AKT1IDO1CTSSCTSLCTSB
SCHEMBL1020939 0.79 MEN1 (0.51) AKT1IDO1CTSSCTSLCTSB
SCHEMBL2736204 0.79 HDAC3 (0.46) AKT1CTSSCTSLCTSBSYK
SCHEMBL1022382 0.78 MMP1 (0.43) AKT1CTSSCTSLCTSBSYK
SCHEMBL1259156 0.78 MEN1 (0.50) AKT1IDO1CTSSCTSLCTSB

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 5 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
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 US disclosed
WO-2005033129-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2005-04-14 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 (2 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 AKT1 4247/4885IDO1 2481/4885CTSS 107/4885
US-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 AKT1 4541/4885IDO1 3000/4885CTSS 99/4885

“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.