SCHEMBL1857776

SCHEMBL1857776

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
IDO1 P14902 1/20 0.46
AKT1 P31749 3/20 0.46
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
CTSL P07711 2/20 0.45
CTSB P07858 2/20 0.45
CTSS P25774 2/20 0.45
MAPT P10636 2/20 0.45
SIGMAR1 Q99720 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CTSK P43235 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SYK P43405 1/20 0.42
CYP3A4 P08684 1/20 0.42
PAX8 Q06710 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
SCHEMBL1024146 0.93 AKT1 (0.48) MEN1KMT2AGAAIDO1AKT1
SCHEMBL1854421 0.92 MEN1 (0.50) MEN1KMT2AGAAIDO1AKT1
SCHEMBL1024008 0.88 KMT2A (0.48) MEN1KMT2AGAAIDO1AKT1
SCHEMBL1020939 0.84 MEN1 (0.51) MEN1KMT2AGAAIDO1AKT1
SCHEMBL1259156 0.83 MEN1 (0.50) MEN1KMT2AGAAIDO1AKT1
SCHEMBL1072867 0.82 SYK (0.47) MEN1KMT2AGAAIDO1AKT1
SCHEMBL4853602 0.82 SYK (0.47) MEN1KMT2AGAAIDO1AKT1
SCHEMBL1024580 0.81 MMP1 (0.44) MEN1KMT2AGAAIDO1AKT1
SCHEMBL1022823 0.81 AKT1 (0.48) MEN1KMT2AIDO1AKT1CTSL
SCHEMBL4856502 0.80 SYK (0.48) MEN1KMT2AGAAIDO1AKT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697400-B1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AICURIS GMBH & CO KG (DE) 2011-05-25 EP disclosed
US-20050256037-A1 Antibacterial amide macrocyles BAYER HEALTHCARE AG (DE) 2005-11-17 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-20050256037-A1 Antibacterial amide macrocyles AADAC, PAM, NOD2 MEN1 1754/4885KMT2A 2507/4885GAA 522/4885

“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.