SCHEMBL5221904

SCHEMBL5221904

COC(=O)c1cc(C2=CCCC2)cc(N2CCCS2(O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC1 Q13547 6/20 0.33
HDAC2 Q92769 6/20 0.33
HDAC3 O15379 3/20 0.33
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
THRB P10828 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TRIM24 O15164 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BLM P54132 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30

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
SCHEMBL5217014 0.97 HDAC1 (0.34) ACMSDALDH1A1HDAC1HDAC2HDAC3
SCHEMBL5221906 0.89 TP53 (0.42) ALDH1A1TP53SMN1; SMN2
SCHEMBL5217003 0.86 POLB (0.43) ALDH1A1TP53SMN1; SMN2
SCHEMBL1583549 0.83 ALDH1A1 (0.42) ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL5223898 0.78 MEN1 (0.44) ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL5222198 0.77 NOTUM (0.46) ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL5225018 0.77 KDM4E (0.39) ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL5225366 0.76 MEN1 (0.44) ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL5223202 0.75 ACMSD (0.34) ACMSDHDAC1HDAC2HDAC3LMNA
SCHEMBL5217934 0.75 MEN1 (0.44) ALDH1A1HDAC1HDAC2HDAC3LMNA

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 ACMSD 2640/4885ALDH1A1 3102/4885HDAC1 672/4885

“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.