SCHEMBL918102

SCHEMBL918102

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.50
AKR1C3 P42330 1/20 0.46
HSD11B1 P28845 5/20 0.43
ESR1 P03372 1/20 0.42
GLA P06280 1/20 0.41
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
ACHE P22303 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GHSR Q92847 1/20 0.39

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
SCHEMBL2220626 0.85 AKR1C3 (0.45) MMP2AKR1C3HSD11B1ESR1GLA
SCHEMBL916742 0.83 HSD11B1 (0.43) MMP2HSD11B1ESR1ACHE
SCHEMBL916819 0.83 PSEN1 (0.57) MMP2AKR1C3HSD11B1CTSGCMA1
SCHEMBL2221418 0.82 ACHE (0.49) MMP2AKR1C3HSD11B1ESR1ACHE
SCHEMBL2221744 0.80 ACHE (0.50) MMP2AKR1C3ACHEMAPK1HTT
SCHEMBL19332116 0.80 PARL (0.53) MMP2AKR1C3HSD11B1ACHE
SCHEMBL12786686 0.79 HSD11B1 (0.67) HSD11B1ACHE
SCHEMBL19332101 0.79 MMP2 (0.46) MMP2AKR1C3HSD11B1ESR1
SCHEMBL916558 0.77 PSEN1 (0.62) MMP2HSD11B1CTSGCMA1ACHE
SCHEMBL917161 0.77 ACHE (0.44) AKR1C3HSD11B1ESR1ACHEMAPK1

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 11 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
US-20110003802-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-7754712-B2 Bridged N-cyclic sulfonamido inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
EP-1916985-A2 BRIDGED N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2008-05-07 EP disclosed
EP-1915371-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE Elan Pharmaceuticals Inc. (US) 2008-04-30 EP disclosed
US-20080090817-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2008-04-17 US disclosed
US-7345056-B2 Bridged N-cyclic sulfonamido inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2008-03-18 US disclosed
WO-2007024651-A2 BRIDGED N-BICYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-03-01 WO disclosed
US-20070049612-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2007-03-01 US disclosed
WO-2007022502-A2 BRIDGED N-CYCLIC SULFONAMIDO INHIBITORS OF GAMMA SECRETASE ELAN PHARMACEUTICALS, INC. (US) 2007-02-22 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 (4 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-20080090817-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 MMP2 2433/4885AKR1C3 1259/4885HSD11B1 534/4885
US-20110178119-A1 Bridged N-Bicyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 MMP2 2109/4885AKR1C3 1470/4885HSD11B1 544/4885
US-20110003802-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 MMP2 2433/4885AKR1C3 1259/4885HSD11B1 534/4885
US-20070049612-A1 Bridged N-Cyclic Sulfonamido Inhibitors of Gamma Secretase BACE1, BACE2, PSEN1 MMP2 2433/4885AKR1C3 1259/4885HSD11B1 534/4885

“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.