SCHEMBL6721887

SCHEMBL6721887

CS(=O)(=O)c1ccc(-c2c(-c3ccc(Br)c(Br)c3)noc2C(F)(F)F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.53
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
FFAR4 Q5NUL3 1/20 0.34
KIF11 P52732 1/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PTGS1 P23219 2/20 0.32
POLB P06746 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL6718435 0.92 PTGS2 (0.51) PTGS2ESR1ESR2FFAR4PIK3CD
SCHEMBL6730337 0.92 PTGS2 (0.51) PTGS2ESR1ESR2FFAR4PIK3CD
SCHEMBL6729359 0.90 PTGS2 (0.46) PTGS2ESR1ESR2FFAR4KIF11
SCHEMBL6721315 0.90 PTGS2 (0.59) PTGS2ESR1ESR2FFAR4KIF11
SCHEMBL6723360 0.89 PTGS2 (0.57) PTGS2ESR1ESR2KIF11PIK3CD
SCHEMBL6722930 0.88 PTGS2 (0.54) PTGS2ESR1ESR2FFAR4KIF11
SCHEMBL6723336 0.87 PTGS2 (0.54) PTGS2ESR1ESR2FFAR4NR1H2
SCHEMBL6723530 0.87 PTGS2 (0.55) PTGS2ESR1ESR2FFAR4KIF11
SCHEMBL6723456 0.86 PTGS2 (0.70) PTGS2ESR1ESR2FFAR4PTGS1
SCHEMBL6718650 0.86 PTGS2 (0.54) PTGS2ESR1ESR2KIF11PIK3CD

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 2 patents. 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
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS2 5/4885ESR1 1770/4885ESR2 176/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885ESR1 1900/4885ESR2 160/4885

“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.