SCHEMBL5222432

SCHEMBL5222432

CCN1CCc2c1cc(C(=O)OC)cc2N1CCCCS1(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LDHA P00338 1/20 0.33
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 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
SCHEMBL5222429 0.89 SMN1; SMN2 (0.34) TP53KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL5224504 0.87 POLB (0.46) TP53POLBMAPT
SCHEMBL6184274 0.83 POLB (0.39) TP53POLBKDM4ESMN1; SMN2NPC1
SCHEMBL5221362 0.83 NOTUM (0.41) TP53POLBKDM4ESMN1; SMN2NPC1
SCHEMBL5222762 0.79 UCHL1 (0.51) TP53POLBKDM4ESMN1; SMN2NPC1
SCHEMBL5218575 0.78 TP53 (0.39) TP53POLBKDM4ESMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL5220367 0.77 PIK3C3 (0.36) TP53POLBKDM4ESMN1; SMN2NPC1
SCHEMBL5218030 0.76 BACE1 (0.47) TP53POLBKDM4ESMN1; SMN2NPC1
SCHEMBL5224501 0.76 POLB (0.36) POLBKDM4EALDH1A1HSD17B10
SCHEMBL5222266 0.75 KDM4E (0.38) TP53POLBKDM4ESMN1; SMN2MAPT

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 TP53 3868/4885POLB 723/4885KDM4E 1129/4885

“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.