SCHEMBL5219796

SCHEMBL5219796

CCn1cnc2c(N3CCCS3(=O)=O)cc(C(=O)OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.39
MAPT P10636 1/20 0.37
TP53 P04637 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.33
YTHDC1 Q96MU7 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
USP7 Q93009 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 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
SCHEMBL5220194 0.97 POLB (0.37) PIK3C3MAPTTP53SMN1; SMN2CTSD
SCHEMBL5219791 0.90 CTSD (0.36) MAPTSMN1; SMN2CTSDBACE1BACE2
SCHEMBL5219134 0.88 POLB (0.39) PIK3C3MAPTTP53SMN1; SMN2CTSD
SCHEMBL5220205 0.87 CTSD (0.35) SMN1; SMN2CTSDBACE1BACE2HTR7
SCHEMBL5217621 0.85 POLB (0.43) PIK3C3MAPTTP53CTSDBACE1
SCHEMBL5220039 0.80 TP53 (0.39) PIK3C3MAPTTP53SMN1; SMN2CTSD
SCHEMBL5218022 0.79 BACE1 (0.50) MAPTSMN1; SMN2CTSDBACE1BACE2
SCHEMBL5219130 0.78 CTSD (0.37) CTSDBACE1BACE2PTGESNPC1
SCHEMBL5222266 0.77 KDM4E (0.38) PIK3C3MAPTTP53SMN1; SMN2CTSD
SCHEMBL5218380 0.77 PIK3C3 (0.39) PIK3C3MAPTTP53SMN1; SMN2CTSD

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 PIK3C3 4821/4885MAPT 16/4885TP53 3868/4885

“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.