SCHEMBL5223333

SCHEMBL5223333

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
NFKB1 P19838 1/20 0.37
XDH P47989 1/20 0.37
GFER P55789 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
FUT7 Q11130 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36

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
SCHEMBL1583549 0.88 ALDH1A1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL5223342 0.87 POLB (0.50) CA12CA1CA2CA7CA9
SCHEMBL5218548 0.86 NPC1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL5219947 0.86 NOTUM (0.45) CA12CA1CA2CA7CA9
SCHEMBL5219981 0.83 BACE1 (0.40) ALDH1A1KDM4EPOLBLMNASMN1; SMN2
SCHEMBL5222444 0.82 MEN1 (0.44) POLBL3MBTL1LMNAGAASMN1; SMN2
SCHEMBL5219867 0.82 HTT (0.43) ALDH1A1KDM4EPOLBL3MBTL1GAA
SCHEMBL6827148 0.82 MEN1 (0.44) ALDH1A1POLBL3MBTL1LMNAGAA
SCHEMBL5223389 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBL3MBTL1GAA
SCHEMBL5225451 0.82 MAPT (0.44) ALDH1A1KDM4EL3MBTL1LMNATDP1

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 CA12 3919/4885CA1 2419/4885CA2 4158/4885

“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.