SCHEMBL5720754

SCHEMBL5720754

COC(=O)c1cccc(N(c2ccccc2)S(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.49
BACE1 P56817 4/20 0.46
CTSD P07339 3/20 0.46
BACE2 Q9Y5Z0 3/20 0.46
PTGS2 P35354 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SLC7A5 Q01650 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
NR3C1 P04150 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL13229340 0.90 TSHR (0.49) POLBTSHRRAB9APTGS2KDM4E
SCHEMBL5928392 0.88 PLAU (0.48) POLBTSHRRAB9ACA12CA1
SCHEMBL5928691 0.86 TSHR (0.49) POLBTSHRRAB9ACA12CA1
SCHEMBL13229343 0.86 TSHR (0.45) POLBTSHRRAB9ABACE1CTSD
SCHEMBL5928548 0.85 TSHR (0.44) POLBTSHRBACE1CTSDBACE2
SCHEMBL7857856 0.85 BACE1 (0.45) POLBTSHRBACE1PTGS2KDM4E
SCHEMBL5720785 0.84 ALDH1A1 (0.47) POLBTSHRBACE1CTSDBACE2
SCHEMBL7864577 0.83 ACLY (0.44) POLBTSHRRAB9APTGS2KDM4E
SCHEMBL5720749 0.83 KDM4E (0.43) POLBTSHRRAB9ABACE1CTSD
SCHEMBL5435147 0.82 POLB (0.55) POLBTSHRRAB9ACA12CA1

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-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US disclosed
EP-1611089-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 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-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 POLB 1607/4885TSHR 4740/4885RAB9A 2600/4885

“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.