SCHEMBL5219935

SCHEMBL5219935

CCN(CC)c1cc(C(=O)OC)cc(N2CCCCS2(O)O)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.34
KDM4E B2RXH2 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX15 P16050 2/20 0.31
CASP1 P29466 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP7 P55210 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5219941 0.89 POLB (0.37) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5224401 0.88 POLB (0.35)
SCHEMBL5218025 0.81 BACE1 (0.41) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5219772 0.81 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5220094 0.77 MAPT (0.42) ALDH1A1KDM4ESMN1; SMN2NPC1CYP1A2
SCHEMBL5224403 0.76 POLB (0.45)
SCHEMBL5222429 0.75 SMN1; SMN2 (0.34) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5218055 0.74 CTSD (0.44) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5220205 0.74 CTSD (0.35) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5224649 0.73 MEN1 (0.42) ALDH1A1KDM4ESMN1; SMN2NPC1CYP1A2

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 ALDH1A1 3102/4885KDM4E 1129/4885SMN1; SMN2 478/4885

“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.