SCHEMBL5219217

SCHEMBL5219217

COC(=O)c1cc(C2CC=CC2)cc(N2CCCCS2(=O)=O)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.35
BACE1 P56817 3/20 0.35
BACE2 Q9Y5Z0 3/20 0.35
POLB P06746 2/20 0.34
PIK3C3 Q8NEB9 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LDHA P00338 1/20 0.32
CALCA P06881 2/20 0.31
TP53 P04637 3/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL5219461 0.90 CTSD (0.36) CTSDBACE1BACE2POLBPIK3C3
SCHEMBL5219215 0.89 KDM4E (0.31) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5218765 0.84 CTSD (0.34) CTSDBACE1BACE2POLBPIK3C3
SCHEMBL5217755 0.81 CTSD (0.37) CTSDBACE1BACE2POLBPIK3C3
SCHEMBL5223229 0.81 KDM4E (0.41) CTSDBACE1BACE2POLBPIK3C3
SCHEMBL5219458 0.80 OPRK1 (0.34) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5219084 0.78 CTSD (0.36) CTSDBACE1BACE2POLBPIK3C3
SCHEMBL5221784 0.78 CTSD (0.42) CTSDBACE1BACE2POLBPIK3C3
SCHEMBL5223775 0.78 KDM4E (0.39) CTSDBACE1BACE2PIK3C3KDM4E
SCHEMBL5226784 0.78 PIK3C3 (0.39) CTSDBACE1BACE2PIK3C3KDM4E

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.