SCHEMBL5222272

SCHEMBL5222272

CCn1ccc2c(N3CCCCS3(O)O)cc(C(=O)OC)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.37
CTSD P07339 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
NR4A2 P43354 1/20 0.33

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
SCHEMBL5220034 0.97 BACE1 (0.37) BACE1CTSDBACE2ALDH1A1KDM4E
SCHEMBL5222266 0.90 KDM4E (0.38) BACE1CTSDBACE2ALDH1A1KDM4E
SCHEMBL5218348 0.88 BACE1 (0.37) BACE1CTSDBACE2ALDH1A1KDM4E
SCHEMBL5220039 0.86 TP53 (0.39) BACE1CTSDBACE2ALDH1A1KDM4E
SCHEMBL5220117 0.85 BACE1 (0.37) BACE1CTSDBACE2ALDH1A1KDM4E
SCHEMBL6184224 0.84 NPC1 (0.35) ALDH1A1KDM4ESMN1; SMN2HSD17B10POLB
SCHEMBL5220205 0.80 CTSD (0.35) BACE1CTSDBACE2ALDH1A1KDM4E
SCHEMBL5223821 0.80 UCHL1 (0.37) ALDH1A1KDM4ESMN1; SMN2NPSR1CYP2C9
SCHEMBL5218338 0.78 POLB (0.46) BACE1CTSDBACE2POLB
SCHEMBL5222810 0.78 BACE1 (0.51) BACE1CTSDBACE2ALDH1A1KDM4E

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 BACE1 3/4885CTSD 384/4885BACE2 1/4885

“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.