SCHEMBL5218399

SCHEMBL5218399

CCOc1cc(NS(=O)(=O)CCCCl)cc(C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CREBBP Q92793 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
AR P10275 1/20 0.34
TCF4 P15884 1/20 0.34
CTNNB1 P35222 1/20 0.34

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
SCHEMBL13229561 0.88 HPGD (0.48) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL5217087 0.85 HPGD (0.46) HPGDKDM4EALDH1A1CREBBPKMT2A
SCHEMBL13326134 0.84 HPGD (0.47) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL5217234 0.84 AR (0.53) HPGDNPC1RAB9AKMT2AMEN1
SCHEMBL5217953 0.81 HPGD (0.41) HPGDTDP1KDM4EALDH1A1KMT2A
SCHEMBL5217810 0.81 HPGD (0.41) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL5223441 0.79 HPGD (0.40) HPGDKDM4EALDH1A1CREBBPKMT2A
SCHEMBL5224471 0.79 POLB (0.47) HPGDTDP1ALDH1A1KMT2AMEN1
SCHEMBL5217328 0.78 ALDH1A1 (0.49) TDP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL5219530 0.76 HPGD (0.40) HPGDKDM4EALDH1A1KMT2AMEN1

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 2131/4885TDP1 382/4885KDM4E 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.