SCHEMBL5225359

SCHEMBL5225359

COC(=O)c1cc(N2CCCC2=O)cc(N2CCCS2(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 8/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6827150 0.96 POLB (0.48) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL5225366 0.88 MEN1 (0.44) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL5218816 0.88 ALDH1A1 (0.53) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL1583553 0.86 TP53 (0.52) TP53POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL5219444 0.86 MEN1 (0.56) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL6827148 0.85 MEN1 (0.44) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL18767065 0.84 POLB (0.54) TP53POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL475775 0.83 MEN1 (0.56) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL5225022 0.83 TP53 (0.47) TP53POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL475737 0.82 POLB (0.55) TP53POLBALDH1A1SMN1; SMN2MAPT

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 MEN1 586/4885KMT2A 300/4885TP53 3868/4885

“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.