SCHEMBL2888161

SCHEMBL2888161

CC[C@H](CC(F)(F)F)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.68
PSEN2 P49810 3/20 0.68
APH1B Q8WW43 3/20 0.68
NCSTN Q92542 3/20 0.68
APH1A Q96BI3 3/20 0.68
PSENEN Q9NZ42 3/20 0.68
KMT2A Q03164 5/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
CCR4 P51679 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HTR6 P50406 1/20 0.35
BMP1 P13497 1/20 0.35

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
SCHEMBL2888157 1.00 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2888245 1.00 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2888247 1.00 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2886692 0.93 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2888871 0.93 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
Gsi-136 SCHEMBL1168789 0.90 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
Gsi-136 SCHEMBL27544047 0.90 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2883104 0.85 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1169085 0.85 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2883102 0.85 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227667-A1 FLUORO- AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF WYETH (US) 2009-09-10 US claimed
US-7547725-B2 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2009-06-16 US claimed
US-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2007-11-01 US claimed
US-7858658-B2 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH LLC (US) 2010-12-28 US disclosed
EP-2193117-A1 INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth a Corporation of the State of Delaware (US) 2010-06-09 EP disclosed
US-20090227667-A1 FLUORO- AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF WYETH (US) 2009-09-10 US disclosed
US-20090181932-A1 COMPOSITIONS CONTAINING O-SULFATE AND O-PHOSPHATE CONTAINING ARYL SULFONAMIDE DERIVATIVES USEFUL AS beta-AMYLOID INHIBITORS WYETH (US) 2009-07-16 US disclosed
WO-2009089237-A1 COMPOSITIONS CONTAINING O-SULFATE AND O-PHOSPHATE CONTAINING ARYL SULFONAMIDE DERIVATIVES USEFUL AS BETA-AMYLOID INHIBITORS WYETH (US) 2009-07-16 WO disclosed
US-7547725-B2 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2009-06-16 US disclosed
US-20090023801-A1 INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2009-01-22 US disclosed
WO-2009012205-A1 INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2009-01-22 WO disclosed
US-7300951-B2 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2007-11-27 US disclosed
US-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2007-11-01 US disclosed
US-20040198778-A1 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH 2004-10-07 US 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 (5 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-20090023801-A1 INHIBITORS OF BETA AMYLOID PRODUCTION GYS1, APP, PSEN1 PSEN1 3/4885PSEN2 5/4885APH1B 29/4885
US-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof SCN8A, CHD8, CHRNA7 PSEN1 51/4885PSEN2 31/4885APH1B 600/4885
US-20090227667-A1 FLUORO- AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF SCN8A, CHD8, CDR2 PSEN1 54/4885PSEN2 42/4885APH1B 617/4885
US-20040198778-A1 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof BACE1, APP, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 202/4885
US-20090181932-A1 COMPOSITIONS CONTAINING O-SULFATE AND O-PHOSPHATE CONTAINING ARYL SULFONAMIDE DERIVATIVES USEFUL AS beta-AMYLOID INHIBITORS SCN3A, HCN3, KCNN3 PSEN1 40/4885PSEN2 69/4885APH1B 688/4885

“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.