SCHEMBL3905932

SCHEMBL3905932

COc1cccc(S(=O)(=O)NC(CO)C(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.49
RORC P51449 1/20 0.49
NR1H2 P55055 1/20 0.49
MEP1B Q16820 1/20 0.48
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
ITGAV P06756 1/20 0.46
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
KAT6A Q92794 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PGR P06401 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL3904784 0.87 PSEN1 (0.46) RORARORCNR1H2MEP1BPSEN1
SCHEMBL3915081 0.85 MMP2 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3916549 0.84 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3908625 0.82 CA1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3907267 0.82 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3907305 0.81 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3904777 0.81 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3911590 0.81 ALDH1A1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3910958 0.80 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3904420 0.79 ALDH1A1 (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221711-A1 TRIFLUOROMETHYL-CONTAINING PHENYLSULFONAMIDE BETA AMYLOID INHIBITORS WYETH (US) 2009-09-03 US claimed
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 claimed
US-20070249722-A1 Trifluoromethyl-containing phenylsulfonamide beta amyloid inhibitors WYETH (US) 2007-10-25 US claimed
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-20070249722-A1 Trifluoromethyl-containing phenylsulfonamide beta amyloid inhibitors WYETH (US) 2007-10-25 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 (2 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 RORA 4605/4885RORC 4486/4885NR1H2 1961/4885
US-20070249722-A1 Trifluoromethyl-containing phenylsulfonamide beta amyloid inhibitors APP, PSEN1, BACE1 RORA 4605/4885RORC 4486/4885NR1H2 1961/4885

“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.