SCHEMBL2220626

SCHEMBL2220626

C=C1CC2CCC(C1)N2S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
MMP2 P08253 2/20 0.45
HSD11B1 P28845 5/20 0.42
ESR1 P03372 1/20 0.41
TSHR P16473 1/20 0.39
ACHE P22303 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
EPHX2 P34913 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
CA2 P00918 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL918102 0.85 MMP2 (0.50) AKR1C3MMP2HSD11B1ESR1ACHE
SCHEMBL2223623 0.83 PSEN1 (0.55) AKR1C3MMP2HSD11B1ACHEMAPK1
SCHEMBL2221418 0.81 ACHE (0.49) AKR1C3MMP2HSD11B1ESR1ACHE
SCHEMBL12786810 0.80 HSD11B1 (0.66) HSD11B1ACHE
SCHEMBL2221744 0.79 ACHE (0.50) AKR1C3MMP2ACHEMAPK1HTT
SCHEMBL2221045 0.78 PSEN1 (0.60) MMP2ACHEMAPK1PSEN1PSEN2
SCHEMBL916742 0.68 HSD11B1 (0.43) MMP2HSD11B1ESR1ACHEPSEN1
SCHEMBL916819 0.68 PSEN1 (0.57) AKR1C3MMP2HSD11B1ACHEMAPK1
SCHEMBL13812162 0.67 ACHE (0.68) AKR1C3MMP2HSD11B1ACHEHTT
SCHEMBL5070761 0.67 PSEN1 (0.54) MMP2MAPK1HTTPSEN1PSEN2

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-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-21 US 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 AKR1C3 1470/4885MMP2 2109/4885HSD11B1 544/4885

“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.