SCHEMBL5218650

SCHEMBL5218650

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
CTSD P07339 2/20 0.39
BACE1 P56817 2/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
DRD2 P14416 2/20 0.35
LDHA P00338 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5218643 0.89 DRD2 (0.35) POLBCTSDBACE1BACE2DRD2
SCHEMBL5220748 0.83 BACE1 (0.52) POLBCTSDBACE1BACE2LDHA
SCHEMBL5218053 0.80 CTSD (0.49) POLBCTSDBACE1BACE2TP53
SCHEMBL5224508 0.78 POLB (0.44) POLBCTSDBACE1BACE2LDHA
SCHEMBL5223039 0.78 POLB (0.44) POLBCTSDBACE1BACE2LDHA
SCHEMBL5223037 0.78 POLB (0.44) POLBCTSDBACE1BACE2LDHA
SCHEMBL5218051 0.75 BACE1 (0.51) POLBCTSDBACE1BACE2TP53
SCHEMBL5219490 0.74 BACE1 (0.50) POLBCTSDBACE1BACE2TP53
SCHEMBL6823082 0.73 POLB (0.57) POLBCTSDBACE1BACE2TP53
SCHEMBL5219076 0.72 BACE1 (0.47) POLBCTSDBACE1BACE2LDHA

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 3 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

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 POLB 723/4885CTSD 384/4885BACE1 3/4885

“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.