SCHEMBL5223039

SCHEMBL5223039

C/C=C/c1cc(C(=O)O)cc(N2CCCCS2(=O)=O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
LDHA P00338 1/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
TP53 P04637 4/20 0.34
PIK3C3 Q8NEB9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TPMT P51580 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 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
SCHEMBL5224508 1.00 POLB (0.44) POLBLDHACTSDBACE1BACE2
SCHEMBL5223037 1.00 POLB (0.44) POLBLDHACTSDBACE1BACE2
SCHEMBL5217563 0.90 POLB (0.37) POLBLDHACTSDBACE1BACE2
SCHEMBL5217567 0.90 POLB (0.37) POLBLDHACTSDBACE1BACE2
SCHEMBL5223045 0.89 POLB (0.34) POLBKDM4EALDH1A1HPGDTPMT
SCHEMBL5223051 0.89 POLB (0.34) POLBKDM4EALDH1A1HPGDTPMT
SCHEMBL5217576 0.79 KDM4E (0.33) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL5217580 0.79 KDM4E (0.33) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL5218650 0.78 POLB (0.44) POLBLDHACTSDBACE1BACE2
SCHEMBL5220748 0.77 BACE1 (0.52) POLBLDHACTSDBACE1BACE2

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 POLB 723/4885LDHA 2458/4885CTSD 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.