SCHEMBL5221333

SCHEMBL5221333

CCOC(=O)c1cc(NS(=O)(=O)CCCCl)c2[nH]cc(CC)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ADRB3 P13945 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL5218597 0.97 HPGD (0.36) HPGDALDH1A1KDM4ELMNAADRB3
SCHEMBL27648335 0.88 HPGD (0.47) HPGDALDH1A1KDM4ELMNARECQL
SCHEMBL5220072 0.81 ALDH1A1 (0.41) HPGDALDH1A1KDM4EKMT2AMEN1
SCHEMBL5741361 0.81 HPGD (0.43) HPGDALDH1A1KDM4ELMNABRAF
SCHEMBL5740009 0.80 JAK3 (0.40) HPGDALDH1A1KDM4ELMNARECQL
SCHEMBL5739672 0.79 MTNR1A (0.38) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL27648375 0.76 HPGD (0.39) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL5217389 0.72 ALDH1A1 (0.42) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL5217343 0.71 CA12 (0.44) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL5219668 0.71 CA12 (0.44) HPGDALDH1A1KDM4ELMNAKMT2A

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 HPGD 2131/4885ALDH1A1 3102/4885KDM4E 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.

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