SCHEMBL5219458

SCHEMBL5219458

COC(=O)c1cc(C2CCCC2)cc(N2CCCCS2(O)O)c1F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 14/20 0.34
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
STAT3 P40763 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5219215 0.90 KDM4E (0.31) OPRK1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5219461 0.89 CTSD (0.36) OPRK1ALDH1A1HPGDGAAMAPT
SCHEMBL5259082 0.86 ACMSD (0.40) STAT3
SCHEMBL5218756 0.85 ALOX15 (0.31) OPRK1
SCHEMBL5223226 0.82 KDM4E (0.38) OPRK1ALDH1A1HPGDGAAMAPT
SCHEMBL5219217 0.80 CTSD (0.35) OPRK1ALDH1A1GAAKDM4ENPC1
SCHEMBL5221780 0.79 CTSD (0.34) ALDH1A1HPGDGAAMAPTHSD17B10
SCHEMBL5219097 0.79 PTGS2 (0.33) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL5219089 0.79 PTGS2 (0.33) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL5219078 0.79 PTGS2 (0.33) ALDH1A1HPGDTSHRHSD17B10KDM4E

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 OPRK1 318/4885ALDH1A1 3102/4885HPGD 2131/4885

“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.