SCHEMBL6722074

SCHEMBL6722074

Cc1ccc(-c2noc(C(F)(F)F)c2-c2ccc(S(C)(=O)=O)c(F)c2)cc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.48
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
PAX8 Q06710 1/20 0.35
GRM2 Q14416 4/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NR1H2 P55055 4/20 0.34
NR1H3 Q13133 3/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
S1PR1 P21453 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 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
SCHEMBL6722681 0.92 PTGS2 (0.48) PTGS2ESR1ESR2GRM2FFAR4
SCHEMBL6725525 0.91 PTGS2 (0.43) PTGS2ESR1ESR2PAX8GRM2
SCHEMBL6718900 0.90 PAX8 (0.46) PTGS2PAX8MEN1NPC1KMT2A
SCHEMBL6723530 0.89 PTGS2 (0.55) PTGS2ESR1ESR2FFAR4NR1H2
SCHEMBL6718650 0.88 PTGS2 (0.54) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6718551 0.87 PAX8 (0.34) PTGS2PAX8GRM2NR1H2NR1H3
SCHEMBL6729549 0.87 PTGS2 (0.39) PTGS2PAX8GRM2MEN1NPC1
SCHEMBL6722651 0.86 PTGS2 (0.55) PTGS2ESR1ESR2FFAR4NR1H2
SCHEMBL6718244 0.86 PTGS2 (0.52) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6718609 0.86 BRD4 (0.39) PTGS2PAX8GRM2NR1H2MEN1

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.