SCHEMBL5744757

SCHEMBL5744757

CC(C)(C)OC(=O)N[C@@H]1[C@H](O)CN(C(=O)OCc2ccccc2)C[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.52
CTSL P07711 1/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTSK P43235 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 1/20 0.45
SYK P43405 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
PARP1 P09874 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 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
SCHEMBL5744756 1.00 PDE4B (0.52) PDE4BCTSLKMT2AL3MBTL1CTSK
SCHEMBL5744759 1.00 PDE4B (0.52) PDE4BCTSLKMT2AL3MBTL1CTSK
SCHEMBL3547026 0.91 PDE4B (0.54) PDE4BCTSLKMT2AL3MBTL1SMN1; SMN2
SCHEMBL523499 0.91 PDE4B (0.54) PDE4BCTSLKMT2AL3MBTL1SMN1; SMN2
SCHEMBL12527110 0.91 PDE4B (0.54) PDE4BCTSLKMT2AL3MBTL1SMN1; SMN2
SCHEMBL523841 0.91 PDE4B (0.54) PDE4BCTSLKMT2AL3MBTL1SMN1; SMN2
SCHEMBL523500 0.91 PDE4B (0.54) PDE4BCTSLKMT2AL3MBTL1SMN1; SMN2
SCHEMBL23938305 0.90 PDE4B (0.58) PDE4BCTSLKMT2AL3MBTL1CTSK
SCHEMBL3271625 0.90 PDE4B (0.58) PDE4BCTSLKMT2AL3MBTL1CTSK
SCHEMBL12322673 0.90 PDE4B (0.58) PDE4BCTSLKMT2AL3MBTL1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578743-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-11-29 EP disclosed
US-20060041123-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-02-23 US disclosed
EP-1578743-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-09-28 EP disclosed
WO-2004058144-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-07-15 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 (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-20060041123-A1 Antibacterial agents NQO2, NRDC, IFNG PDE4B 1435/4885CTSL 482/4885KMT2A 4446/4885

“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.