SCHEMBL5217580

SCHEMBL5217580

CC=Cc1cc(C(=O)OC)cc(N2CCCCS2(O)O)c1OC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 5/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
GLA P06280 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
SCHEMBL5217576 1.00 KDM4E (0.33) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5223051 0.90 POLB (0.34) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL5223045 0.90 POLB (0.34) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL5217567 0.89 POLB (0.37) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5217563 0.89 POLB (0.37) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5221149 0.82 KDM4E (0.46) KDM4ESMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL5223037 0.79 POLB (0.44) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL5223039 0.79 POLB (0.44) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL5224508 0.79 POLB (0.44) KDM4ESMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL5220495 0.78 KDM4E (0.44) KDM4ESMN1; SMN2NPC1RAB9ANPSR1

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 KDM4E 1129/4885SMN1; SMN2 478/4885NPC1 1554/4885

“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.