SCHEMBL2890886

SCHEMBL2890886

Cc1ccccc1[S@@+](N)[O-]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ACHE P22303 2/20 0.43
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CD44 P16070 1/20 0.37
ALDH1A1 P00352 4/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
CA7 P43166 2/20 0.35
TAAR1 Q96RJ0 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP1A2 P05177 2/20 0.32
CA12 O43570 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
SCHEMBL358581 1.00 TSHR (0.43) TSHRACHECYP3A4TDP1CD44
Methyl Alcohol SCHEMBL28179894 0.95 ACHE (0.39) TSHRACHECYP3A4TDP1CD44
SCHEMBL29468607 0.79 TSHR (0.47) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL235850 0.79 TSHR (0.47) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL8999536 0.77 TSHR (0.45) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL29726981 0.77 TSHR (0.45) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL1642155 0.77 TSHR (0.45) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL6508099 0.77 TSHR (0.45) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL8666802 0.75 TSHR (0.43) TSHRACHECYP3A4TDP1ALDH1A1
SCHEMBL20774081 0.75 TSHR (0.43) TSHRACHECYP3A4TDP1ALDH1A1

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 9 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-7547725-B2 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof WYETH (US) 2009-06-16 US disclosed
WO-2009018280-A2 SUBSTITUTED INDOLES AUSPEX PHARAMACEUTICALS, INC. (US) 2009-02-05 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
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 (3 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-20070254929-A1 Fluoro-and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof SCN8A, CHD8, CHRNA7 TSHR 202/4885ACHE 806/4885CYP3A4 2849/4885
US-20090227667-A1 FLUORO- AND TRIFLUOROALKYL-CONTAINING HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION AND DERIVATIVES THEREOF SCN8A, CHD8, CDR2 TSHR 212/4885ACHE 905/4885CYP3A4 2923/4885
US-20040198778-A1 Fluoro- and trifluoroalkyl-containing heterocyclic sulfonamide inhibitors of beta amyloid production and derivatives thereof BACE1, APP, PSEN1 TSHR 835/4885ACHE 501/4885CYP3A4 2376/4885

“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.