SCHEMBL5223207

SCHEMBL5223207

COC(=O)c1cc(C2=CCCC2)cc(N2CCCCS2(=O)=O)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.36
CTSD P07339 2/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
ACMSD Q8TDX5 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
TRIM24 O15164 1/20 0.33
CALCA P06881 2/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL5223202 0.91 ACMSD (0.34) ACMSDHDAC3HDAC1HDAC2TRIM24
SCHEMBL5223229 0.79 KDM4E (0.41) PIK3C3CTSDBACE1BACE2CALCA
SCHEMBL5217755 0.79 CTSD (0.37) PIK3C3CTSDBACE1BACE2CALCA
SCHEMBL5217003 0.78 POLB (0.43) PIK3C3POLBSMN1; SMN2
SCHEMBL5221784 0.77 CTSD (0.42) PIK3C3CTSDBACE1BACE2CALCA
SCHEMBL5219084 0.77 CTSD (0.36) PIK3C3CTSDBACE1BACE2CALCA
SCHEMBL5223775 0.76 KDM4E (0.39) PIK3C3CTSDBACE1BACE2KDM4E
SCHEMBL5226784 0.76 PIK3C3 (0.39) PIK3C3CTSDBACE1BACE2KDM4E
SCHEMBL5219461 0.76 CTSD (0.36) PIK3C3CTSDBACE1BACE2POLB
SCHEMBL5224447 0.76 ALDH1A1 (0.42) CTSDBACE1BACE2POLBKDM4E

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 4821/4885CTSD 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.