SCHEMBL5225451

SCHEMBL5225451

CCOc1cc(C(=O)OC)cc(N2CCCCS2(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
CTSD P07339 3/20 0.43
BACE1 P56817 3/20 0.43
BACE2 Q9Y5Z0 3/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 7/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GLA P06280 1/20 0.37
TP53 P04637 3/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL5225441 0.88 MAPT (0.56) MAPTCTSDBACE1BACE2KMT2A
SCHEMBL5218631 0.88 POLB (0.44) MAPTCTSDBACE1BACE2KMT2A
SCHEMBL5396171 0.85 MAPT (0.60) MAPTCTSDBACE1BACE2ALDH1A1
SCHEMBL5219867 0.84 HTT (0.43) MAPTBACE1KMT2AMEN1NPC1
SCHEMBL5219947 0.83 NOTUM (0.45) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL1583549 0.82 ALDH1A1 (0.42) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL5223333 0.82 CA12 (0.49) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL5218548 0.81 NPC1 (0.40) MAPTKMT2ANPC1RAB9AALDH1A1
SCHEMBL5222198 0.79 NOTUM (0.46) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL15668408 0.79 ALDH1A1 (0.55) MAPTNPC1RAB9AALDH1A1HPGD

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 MAPT 16/4885CTSD 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.