SCHEMBL6730337

SCHEMBL6730337

Cc1cc(-c2noc(C(F)(F)F)c2-c2ccc(S(C)(=O)=O)c(F)c2)ccc1Br

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.51
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
NR1H2 P55055 3/20 0.35
NR1H3 Q13133 3/20 0.35
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 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
PTGS1 P23219 1/20 0.33
CA4 P22748 1/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 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) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6719180 0.92 PTGS2 (0.46) PTGS2ESR1ESR2CA1CA2
SCHEMBL6721887 0.92 PTGS2 (0.53) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6725389 0.90 PTGS2 (0.54) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6718650 0.90 PTGS2 (0.54) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6723530 0.89 PTGS2 (0.55) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6722830 0.88 PTGS2 (0.52) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6722824 0.88 PTGS2 (0.52) PTGS2ESR1ESR2NR1H2NR1H3
SCHEMBL6721315 0.88 PTGS2 (0.59) PTGS2ESR1ESR2PIK3CDPIK3CA
SCHEMBL6511446 0.87 PTGS2 (0.49) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG

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 5/4885ESR1 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.