SCHEMBL5220709

SCHEMBL5220709

CCOc1cc(NC(=O)OCc2ccccc2)cc(C(=O)OC)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
MGLL Q99685 2/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL6241708 0.90 KDM4E (0.49) KDM4ELMNAHPGDMGLLTP53
SCHEMBL8290410 0.87 KDM4E (0.47) KDM4ELMNAHPGDMGLLTP53
SCHEMBL14525228 0.86 NR1H4 (0.46) KDM4ELMNAHPGDMGLLTP53
SCHEMBL4881046 0.85 KDM4E (0.50) KDM4ELMNAHPGDMGLLMAPT
SCHEMBL4871235 0.84 KDM4E (0.56) KDM4ELMNAHPGDMGLLPOLB
SCHEMBL2529957 0.84 KDM4E (0.59) KDM4ELMNAHPGDMGLLPOLB
SCHEMBL2533431 0.83 KDM4E (0.55) KDM4ELMNAHPGDMGLLPOLB
SCHEMBL2533853 0.82 KDM4E (0.53) KDM4ELMNAHPGDMGLLPOLB
SCHEMBL2527618 0.82 KDM4E (0.53) KDM4ELMNAHPGDMGLLPOLB
SCHEMBL5224158 0.81 SMN1; SMN2 (0.48) KDM4ELMNAHPGDTP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1611089-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 WO disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KDM4E 1129/4885LMNA 1062/4885HPGD 2131/4885
US-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 KDM4E 1890/4885LMNA 1480/4885HPGD 3779/4885

“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.