SCHEMBL5223441

SCHEMBL5223441

CCCN(CCC)C(=O)c1cc(NS(=O)(=O)CCCCl)cc(C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
THRA P10827 1/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 1/20 0.36
LIMK1 P53667 2/20 0.34
LIMK2 P53671 1/20 0.34
POLB P06746 1/20 0.34
CREBBP Q92793 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL5219530 0.97 HPGD (0.40) HPGDEGFRERBB2THRAKDM4E
SCHEMBL13229561 0.87 HPGD (0.48) HPGDKDM4ELMNAMAPTMEN1
SCHEMBL13326134 0.83 HPGD (0.47) HPGDKDM4ELMNAMAPTMEN1
SCHEMBL5217087 0.81 HPGD (0.46) HPGDTHRAKDM4ELMNAMAPT
SCHEMBL5219577 0.80 KDM4E (0.44) HPGDEGFRERBB2KDM4ELMNA
SCHEMBL5218399 0.79 HPGD (0.44) HPGDKDM4ELMNAMAPTMEN1
SCHEMBL5217953 0.79 HPGD (0.41) HPGDKDM4ELMNAMAPTMEN1
SCHEMBL5220904 0.79 KDM4E (0.43) HPGDEGFRERBB2KDM4ELMNA
SCHEMBL5217810 0.77 HPGD (0.41) HPGDKDM4ELMNAMAPTMEN1
SCHEMBL27574884 0.76 ALDH1A1 (0.41) HPGDEGFRERBB2KDM4ELMNA

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 3 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

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 2131/4885EGFR 3842/4885ERBB2 3287/4885

“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.