SCHEMBL5221126

SCHEMBL5221126

COC(=O)c1cc(C2CC=CC2)cc(N2CCCCS2(O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALDH1A1 P00352 7/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL5218376 0.97 GAA (0.38) GAAALDH1A1SMN1; SMN2NPSR1ATM
SCHEMBL5223389 0.90 ALDH1A1 (0.38) GAAALDH1A1SMN1; SMN2NPSR1ATM
SCHEMBL5221112 0.89 POLB (0.44) GAAALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL5216487 0.86 ALDH1A1 (0.39) GAAALDH1A1SMN1; SMN2NPSR1ATM
SCHEMBL5218382 0.85 TP53 (0.43) GAAALDH1A1SMN1; SMN2NPSR1ATM
SCHEMBL5221494 0.83 ALDH1A1 (0.33) GAAALDH1A1SMN1; SMN2NPSR1ATM
SCHEMBL1583549 0.81 ALDH1A1 (0.42) GAAALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL5223333 0.81 CA12 (0.49) GAAALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL5219947 0.80 NOTUM (0.45) GAAALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL5218548 0.80 NPC1 (0.40) GAAALDH1A1SMN1; SMN2NPSR1KDM4E

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 GAA 80/4885ALDH1A1 3102/4885SMN1; SMN2 478/4885

“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.