SCHEMBL5219461

SCHEMBL5219461

COC(=O)c1cc(C2CCCC2)cc(N2CCCCS2(=O)=O)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.36
BACE1 P56817 3/20 0.36
BACE2 Q9Y5Z0 3/20 0.36
POLB P06746 2/20 0.35
OPRK1 P41145 3/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LDHA P00338 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
SCHEMBL5219217 0.90 CTSD (0.35) CTSDBACE1BACE2POLBOPRK1
SCHEMBL5219458 0.89 OPRK1 (0.34) OPRK1ALDH1A1HPGDMAPTGAA
SCHEMBL5259083 0.86 POLB (0.41) CTSDBACE1BACE2POLBCYP3A4
SCHEMBL5218765 0.85 CTSD (0.34) CTSDBACE1BACE2POLBOPRK1
SCHEMBL5223229 0.82 KDM4E (0.41) CTSDBACE1BACE2POLBOPRK1
SCHEMBL5217755 0.82 CTSD (0.37) CTSDBACE1BACE2POLBOPRK1
SCHEMBL5219215 0.80 KDM4E (0.31) OPRK1KDM4ENPSR1NPC1RAB9A
SCHEMBL5221784 0.79 CTSD (0.42) CTSDBACE1BACE2POLBPIK3C3
SCHEMBL5219084 0.79 CTSD (0.36) CTSDBACE1BACE2POLBPIK3C3
SCHEMBL5223775 0.78 KDM4E (0.39) CTSDBACE1BACE2OPRK1ALDH1A1

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.