SCHEMBL5222223

SCHEMBL5222223

O=C(O)c1cc([N+](=O)[O-])cc(NS(=O)(=O)CCCCl)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
AKR1B1 P15121 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CDK2 P24941 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CTSV O60911 1/20 0.36

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
SCHEMBL5219575 0.97 AKR1B1 (0.37) MAPTAKR1B1KMT2AMEN1GAA
SCHEMBL5221621 0.88 ALDH1A1 (0.36) MAPTAKR1B1KMT2AMEN1GAA
SCHEMBL5221790 0.84 ALDH1A1 (0.36) MAPTAKR1B1KMT2AMEN1NPC1
SCHEMBL17242669 0.73 MCL1 (0.45) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9427649 0.70 PSIP1 (0.45) MAPTGAAALDH1A1LMNATSHR
SCHEMBL12931078 0.68 ALDH1A1 (0.50) MAPTKMT2AMEN1MAPK1ALDH1A1
SCHEMBL1461831 0.68 CYP3A4 (0.46) CYP2C9
SCHEMBL1740988 0.68 ALDH1A1 (0.46) MAPTKMT2AMEN1GAAMAPK1
SCHEMBL5355083 0.67 CA2 (0.54) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL912701 0.67 BRAF (0.54) CYP2C9

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 MAPT 16/4885AKR1B1 3851/4885KMT2A 300/4885

“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.