SCHEMBL5222429

SCHEMBL5222429

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
UCHL1 P09936 1/20 0.33
USP30 Q70CQ3 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 4/20 0.32
CYP1A2 P05177 3/20 0.31
CYP2D6 P10635 3/20 0.31
CYP2C9 P11712 3/20 0.31
CYP2C19 P33261 3/20 0.31
ALDH1A1 P00352 7/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 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
SCHEMBL5222432 0.89 TP53 (0.38) SMN1; SMN2KDM4ERAB9ANPC1NPSR1
SCHEMBL5224501 0.87 POLB (0.36) KDM4EALDH1A1HSD17B10TSHR
SCHEMBL6184270 0.83 UCHL1 (0.39) SMN1; SMN2KDM4ERAB9ANPC1NPSR1
SCHEMBL5221373 0.83 NOTUM (0.41) SMN1; SMN2KDM4ERAB9ANPC1NPSR1
SCHEMBL5222755 0.79 UCHL1 (0.51) SMN1; SMN2KDM4ERAB9ANPC1NPSR1
SCHEMBL5218589 0.78 TP53 (0.31) SMN1; SMN2KDM4ERAB9ANPC1NPSR1
Hydrochloric Acid SCHEMBL5220379 0.77 ALOX15 (0.33) SMN1; SMN2KDM4ERAB9ANPC1NPSR1
SCHEMBL5224504 0.76 POLB (0.46) TP53MAPT
SCHEMBL5218025 0.76 BACE1 (0.41) SMN1; SMN2KDM4ERAB9ANPC1NPSR1
SCHEMBL5222272 0.75 BACE1 (0.37) SMN1; SMN2KDM4ERAB9ANPC1NPSR1

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 SMN1; SMN2 478/4885KDM4E 1129/4885RAB9A 2403/4885

“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.