SCHEMBL5568161

SCHEMBL5568161

O=C1NCCCCC1NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
F10 P00742 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
BACE1 P56817 1/20 0.45
HSP90AA1 P07900 1/20 0.44
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
ALOX5AP P20292 2/20 0.41
RAB9A P51151 1/20 0.41
FEN1 P39748 1/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL5568155 1.00 MAPK1 (0.56) MAPK1HTTF10SMN1; SMN2KDM4E
SCHEMBL2399329 0.86 MMP2 (0.51) MAPK1SMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL15172491 0.86 RAB9A (0.56) HTTSMN1; SMN2KDM4ERECQLBACE1
SCHEMBL4668674 0.86 RAB9A (0.56) HTTSMN1; SMN2KDM4ERECQLBACE1
SCHEMBL5518996 0.86 MMP2 (0.51) MAPK1SMN1; SMN2KDM4ERECQLALDH1A1
SCHEMBL1877899 0.86 ALDH1A1 (0.51) SMN1; SMN2KDM4ERECQLBACE1ALDH1A1
SCHEMBL1876072 0.86 ALDH1A1 (0.51) SMN1; SMN2KDM4ERECQLBACE1ALDH1A1
SCHEMBL5562430 0.83 PSEN1 (0.49) SMN1; SMN2KDM4ERECQLBACE1PSEN1
SCHEMBL14855976 0.83 BACE1 (0.47) HTTF10SMN1; SMN2KDM4ERECQL
SCHEMBL5562435 0.83 PSEN1 (0.49) SMN1; SMN2KDM4ERECQLBACE1PSEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1768960-A1 SULFONAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-04 EP disclosed
US-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 US disclosed
WO-2006005486-A1 SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-19 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-20060014945-A1 N-((hetero)aryl)-N-(2-oxo-azepan-3-yl)-benzenesulfonamides; useful treating AD or common cancers by blocking the activity of gamma-secretase and reducing/preventing the formation of amyloidogenic Abeta peptides and by blocking the Notch signaling pathways that can interfere with cancer pathogenesis. BACE1, APP, BACE2 MAPK1 2439/4885HTT 849/4885F10 2550/4885

“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.