SCHEMBL6725985

SCHEMBL6725985

Cc1cncc(-c2noc(C(F)(F)F)c2-c2ccc(S(C)(=O)=O)c(F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.51
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL6722670 0.91 PTGS2 (0.45) PTGS2CYP11B1CYP11B2ESR1ESR2
SCHEMBL6729757 0.89 PTGS2 (0.55) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6722263 0.88 PTGS2 (0.59) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6725942 0.87 PTGS2 (0.49) PTGS2CYP11B1CYP11B2PIK3CDPIK3CA
SCHEMBL6721690 0.86 PTGS2 (0.55) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6718404 0.85 PTGS2 (0.54) PTGS2ESR1ESR2S1PR1NR1H2
SCHEMBL6723530 0.85 PTGS2 (0.55) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6723456 0.85 PTGS2 (0.70) PTGS2ESR1ESR2FFAR4
SCHEMBL6723360 0.85 PTGS2 (0.57) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6725389 0.84 PTGS2 (0.54) PTGS2ESR1ESR2NR1H2NR1H3

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 4 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
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 US disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO 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 5/4885CYP11B1 470/4885CYP11B2 395/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885CYP11B1 417/4885CYP11B2 318/4885

“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.