SCHEMBL5220205

SCHEMBL5220205

CCn1cnc2c(N3CCCCS3(O)O)cc(C(=O)OC)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
YTHDC1 Q96MU7 3/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
KDM4E B2RXH2 4/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
USP7 Q93009 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL5219791 0.97 CTSD (0.36) CTSDBACE1BACE2SLC6A2SLC6A4
SCHEMBL5220194 0.90 POLB (0.37) CTSDBACE1BACE2SLC6A2SLC6A4
SCHEMBL5217639 0.89 CTSD (0.37) CTSDBACE1BACE2HPGDPTGES
SCHEMBL5219796 0.87 PIK3C3 (0.39) CTSDBACE1BACE2YTHDC1SMN1; SMN2
SCHEMBL5219130 0.85 CTSD (0.37) CTSDBACE1BACE2NPC1RAB9A
SCHEMBL5222272 0.80 BACE1 (0.37) CTSDBACE1BACE2SLC6A2SLC6A4
SCHEMBL5219248 0.78 HSD11B1 (0.35) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL5218022 0.78 BACE1 (0.50) CTSDBACE1BACE2SMN1; SMN2CYP2C9
SCHEMBL5217621 0.78 POLB (0.43) CTSDBACE1BACE2HPGDPTGES
SCHEMBL5220034 0.77 BACE1 (0.37) CTSDBACE1BACE2SLC6A2SLC6A4

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 CTSD 384/4885BACE1 3/4885BACE2 1/4885

“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.