SCHEMBL2889933

SCHEMBL2889933

COC(=O)[C@@H](N)C(C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ACHE P22303 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL2886731 1.00 SMN1; SMN2 (0.36) SMN1; SMN2ACHECA1CA2SLC1A3
SCHEMBL4198483 0.85
SCHEMBL22697343 0.80 SMN1; SMN2 (0.37) SMN1; SMN2ACHECA1CA2SLC1A3
SCHEMBL17986918 0.80 SMN1; SMN2 (0.37) SMN1; SMN2ACHECA1CA2SLC1A3
SCHEMBL17986909 0.80 SMN1; SMN2 (0.37) SMN1; SMN2ACHECA1CA2SLC1A3
SCHEMBL2888355 0.78 ALOX15 (0.39)
SCHEMBL2888357 0.78 ALOX15 (0.39)
Hydrochloric Acid SCHEMBL35210724 0.78 SMN1; SMN2 (0.35) SMN1; SMN2ACHECA1CA2SLC1A3
SCHEMBL8777191 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ACHECA1CA2SLC1A3
SCHEMBL8777192 0.76 SMN1; SMN2 (0.39) SMN1; SMN2ACHECA1CA2SLC1A3

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-7858658-B2 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH LLC (US) 2010-12-28 US 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-20090221711-A1 TRIFLUOROMETHYL-CONTAINING PHENYLSULFONAMIDE BETA AMYLOID INHIBITORS WYETH (US) 2009-09-03 US disclosed
US-7550629-B2 4-chloro-N-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]benzenesulfonamide; 4-cyano-N-(3,3,3-trifluoro-1-hydroxymethyl-2-trifluoromethyl-propyl)-benzenesulfonamide; Alzheimer's Disease, amyloid angiopathy, systemic amyloidosis, mild cognitive impairment and Down's syndrome WYETH (US) 2009-06-23 US 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-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-20070249722-A1 Trifluoromethyl-containing phenylsulfonamide beta amyloid inhibitors WYETH (US) 2007-10-25 US disclosed
EP-1608638-A1 FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF Wyeth (US) 2005-12-28 EP disclosed
WO-2004092155-A1 FLUORO-AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF WYETH (US) 2004-10-28 WO 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-20090221711-A1 TRIFLUOROMETHYL-CONTAINING PHENYLSULFONAMIDE BETA AMYLOID INHIBITORS APP, PSEN1, BACE1 SMN1; SMN2 39/4885ACHE 341/4885CA1 1419/4885
US-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof SCN8A, CHD8, CHRNA7 SMN1; SMN2 1061/4885ACHE 806/4885CA1 707/4885
US-20070249722-A1 Trifluoromethyl-containing phenylsulfonamide beta amyloid inhibitors APP, PSEN1, BACE1 SMN1; SMN2 39/4885ACHE 341/4885CA1 1419/4885
US-20090227667-A1 FLUORO- AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF SCN8A, CHD8, CDR2 SMN1; SMN2 1154/4885ACHE 905/4885CA1 680/4885
US-20040198778-A1 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof BACE1, APP, PSEN1 SMN1; SMN2 469/4885ACHE 501/4885CA1 298/4885

“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.