SCHEMBL2221744

SCHEMBL2221744

O=S(=O)(c1ccc(Br)cc1)N1C2CCCC1CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
MMP2 P08253 2/20 0.50
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
AKR1C3 P42330 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 1/20 0.43
ATM Q13315 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL2221418 0.98 ACHE (0.49) ACHEMMP2PSEN1PSEN2APH1B
SCHEMBL2220869 0.81 TRPA1 (0.53) ACHEMMP2PSEN1PSEN2APH1B
SCHEMBL2221432 0.81 PSEN1 (0.72) ACHEMMP2PSEN1PSEN2APH1B
SCHEMBL918102 0.80 MMP2 (0.50) ACHEMMP2HTTMAPK1AKR1C3
SCHEMBL3699840 0.79 ACHE (0.49) ACHEMMP2PSEN1PSEN2APH1B
SCHEMBL2220964 0.79 PSEN1 (0.70) ACHEMMP2PSEN1PSEN2APH1B
SCHEMBL2220626 0.79 AKR1C3 (0.45) ACHEMMP2PSEN1PSEN2APH1B
SCHEMBL2219745 0.77 ACHE (0.54) ACHEPSEN1PSEN2APH1BNCSTN
SCHEMBL2220755 0.76 ALDH1A1 (0.41) ACHEPSEN1PSEN2APH1BNCSTN
SCHEMBL8320725 0.73 EPHX2 (0.42) ACHEPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-21 US claimed
EP-1915371-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2008-04-30 EP claimed
WO-2007024651-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-03-01 WO claimed
US-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-21 US disclosed
EP-1915371-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2008-04-30 EP disclosed
WO-2007024651-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-03-01 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-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 ACHE 17/4885MMP2 2109/4885PSEN1 3/4885

“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.