SCHEMBL5219981

SCHEMBL5219981

COC(=O)c1cc(NC(C)C)cc(N2CCCCS2(O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.40
BACE2 Q9Y5Z0 6/20 0.40
CTSD P07339 5/20 0.40
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 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
SCHEMBL5219973 0.88 POLB (0.46) BACE1BACE2CTSDSMN1; SMN2POLB
SCHEMBL5217952 0.88 BACE1 (0.43) BACE1BACE2CTSDHSD17B10ALDH1A1
SCHEMBL1583549 0.83 ALDH1A1 (0.42) HSD17B10ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5223333 0.83 CA12 (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL5219867 0.82 HTT (0.43) BACE1HSD17B10ALDH1A1NPC1RAB9A
SCHEMBL5219947 0.81 NOTUM (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL5218548 0.81 NPC1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL6827148 0.78 MEN1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL5223389 0.78 ALDH1A1 (0.38) HSD17B10ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5222444 0.78 MEN1 (0.44) NPC1SMN1; SMN2POLBLMNA

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

“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.