SCHEMBL1168528

SCHEMBL1168528

CC(C)(C)OC(=O)N1CCC(CO)(NS(=O)(=O)c2ccc(Cl)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 6/20 0.44
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MMP13 P45452 8/20 0.42
MMP1 P03956 2/20 0.42
P2RY12 Q9H244 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
ADAM17 P78536 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MMP2 P08253 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
SCHEMBL1168483 0.86 MAPT (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22115151 0.80 STS (0.47) STSPSEN1PSEN2APH1BNCSTN
SCHEMBL1168984 0.78 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1168731 0.77 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1169307 0.76 MMP13 (0.58) STSMAPTKDM4EMMP13MMP1
SCHEMBL12863287 0.76 MMP13 (0.58) STSMAPTKDM4EMMP13MMP1
SCHEMBL4100013 0.75 STS (0.69) STSMAPTKDM4EMMP13MMP1
Hydrochloric Acid SCHEMBL1168554 0.75 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22089492 0.73 STS (0.57) STSPSEN1PSEN2APH1BNCSTN
SCHEMBL1563895 0.72 ALDH1A1 (0.54) STSPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034513-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production WYETH LLC (US) 2011-02-10 US disclosed
US-7842718-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production WYETH LLC (US) 2010-11-30 US disclosed
US-7691884-B2 Heterocyclic sulfonamide inhibitors of β amyloid production WYETH (US) 2010-04-06 US disclosed
US-20100022594-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2010-01-28 US disclosed
EP-1341779-B1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2006-06-21 EP disclosed
US-20050196813-A1 Heterocyclic sulfonamide inhibitors of beta amyloid production WYETH (US) 2005-09-08 US disclosed
US-6878742-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production WYETH (US) 2005-04-12 US disclosed
US-20030229127-A1 Heterocyclic sulfonamide inhibitors of beta amyloid production WYETH 2003-12-11 US disclosed
EP-1341779-A2 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2003-09-10 EP disclosed
US-6610734-B2 For therapy of Alzheimer's Disease and Down's syndrome WYETH 2003-08-26 US disclosed
US-20020183361-A1 Heterocyclic sulfonamide inhibitors of beta amyloid production ARQULE 2002-12-05 US disclosed
WO-2002057252-A2 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2002-07-25 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-20030229127-A1 Heterocyclic sulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 STS 8/4885PSEN1 3/4885PSEN2 4/4885
US-20100022594-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION APP, BACE1, PSEN1 STS 8/4885PSEN1 3/4885PSEN2 4/4885
US-20110034513-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production APP, BACE1, PSEN1 STS 8/4885PSEN1 3/4885PSEN2 4/4885
US-20020183361-A1 Heterocyclic sulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 STS 8/4885PSEN1 3/4885PSEN2 4/4885

“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.