SCHEMBL6723873

SCHEMBL6723873

O=S(=O)(Cc1ccc(-c2ncccc2-c2ccc(OC(F)(F)F)cc2)cc1F)Cc1ccc(-c2ncccc2-c2ccc(OC(F)(F)F)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.40
CBFB Q13951 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
RUNX1 Q01196 1/20 0.38
MALT1 Q9UDY8 2/20 0.38
KCNH2 Q12809 2/20 0.37
KCNA5 P22460 1/20 0.37
CNR1 P21554 1/20 0.37
PTGS2 P35354 3/20 0.37
PTGS1 P23219 1/20 0.37
ABL1 P00519 2/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL6723256 0.91 KCNA5 (0.46) CHRM5CBFBKCNH2KCNA5
SCHEMBL6722946 0.85 TRPV1 (0.43) TRPV1MALT1KCNH2KCNA5PTGS2
SCHEMBL6721604 0.85 PTGS2 (0.51) MALT1PTGS2PTGS1ABL1ALDH1A1
SCHEMBL6726098 0.85 PTGS2 (0.42) PTGS2PTGS1ABL1GAA
SCHEMBL6723304 0.85 FFAR1 (0.38) TRPV1PTGS2PTGS1FFAR1FFAR4
SCHEMBL6720849 0.85 FEN1 (0.35) TRPV1PTGS2PTGS1FFAR1FFAR4
SCHEMBL6722643 0.84 PTGS2 (0.41) CHRM5PTGS2PTGS1ABL1GAA
SCHEMBL6730013 0.83 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6723197 0.83 MALT1 (0.42) MALT1PTGS2PTGS1
SCHEMBL6718600 0.83 GLO1 (0.42) MALT1PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 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 (1 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-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 CHRM5 3140/4885CBFB 446/4885TRPV1 1347/4885

“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.