SCHEMBL5221268

SCHEMBL5221268

CCn1ncc2c(N(S(=O)(=O)CCCCl)S(=O)(=O)CCCCl)cc(C(=O)OC)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 3/20 0.35
KDM4E B2RXH2 3/20 0.34
TSHR P16473 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
PDE4D Q08499 2/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
PDE4B Q07343 5/20 0.33
PDE5A O76074 1/20 0.32
MAPT P10636 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 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
SCHEMBL5219029 0.82 KDM5A (0.33) KDM4ETSHRNPSR1HSD17B10GAA
SCHEMBL5217329 0.80 YTHDC1 (0.34) KDM4ETSHRGAACYP1A2CYP2C19
SCHEMBL5221827 0.74 KDM4E (0.41) PTGER3KDM4ETSHRMEN1KMT2A
SCHEMBL15910578 0.73 KDM4E (0.48) PTGER3KDM4ETSHRMEN1KMT2A
SCHEMBL5221959 0.73 KDM4E (0.41) PTGER3KDM4ETSHRMEN1KMT2A
SCHEMBL5220005 0.71 TP53 (0.30) TP53
SCHEMBL5223269 0.69 KDM4E (0.49) KDM4ETSHRMEN1KMT2ANPSR1
SCHEMBL5223548 0.66
SCHEMBL5224339 0.66
SCHEMBL2591408 0.66 KMT2A (0.46) KDM4ETSHRMEN1KMT2ANPSR1

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 PTGER3 2336/4885KDM4E 1129/4885TSHR 4643/4885

“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.