SCHEMBL5218643

SCHEMBL5218643

CCCc1cc(C(=O)O)cc(N2CCCCS2(O)O)c1OC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
POLB P06746 3/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
RXRA P19793 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5218650 0.89 POLB (0.44) DRD2POLBPPARGPPARACTSD
SCHEMBL5220759 0.83 BACE1 (0.45) POLBCTSDBACE1BACE2SMN1; SMN2
SCHEMBL5218045 0.80 CTSD (0.42) CTSDBACE1BACE2SMN1; SMN2
SCHEMBL5223045 0.78 POLB (0.34) POLB
SCHEMBL5223051 0.78 POLB (0.34) POLB
SCHEMBL5218055 0.75 CTSD (0.44) CTSDBACE1BACE2SMN1; SMN2
SCHEMBL6823081 0.73 BACE1 (0.43) POLBCTSDBACE1BACE2
SCHEMBL5219484 0.73 BACE1 (0.44) POLBCTSDBACE1BACE2
SCHEMBL5220748 0.72 BACE1 (0.52) POLBCTSDBACE1BACE2SMN1; SMN2
SCHEMBL5221149 0.71 KDM4E (0.46) SMN1; SMN2

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
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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP 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 (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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 DRD2 269/4885POLB 723/4885PPARG 4587/4885

“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.