SCHEMBL6725828

SCHEMBL6725828

Cc1ccc(-c2noc(C(F)F)c2-c2ccc(S(C)(=O)=O)c(F)c2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.38
NR1H3 Q13133 3/20 0.38
PTGS2 P35354 4/20 0.38
S1PR1 P21453 5/20 0.36
KIF11 P52732 1/20 0.36
NOTUM Q6P988 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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
SCHEMBL6726032 0.92 NR1H2 (0.38) NR1H2NR1H3PTGS2KIF11CA1
SCHEMBL6722984 0.91 CA2 (0.43) PTGS2S1PR1KIF11NOTUMCA1
SCHEMBL6722025 0.90 PTGS2 (0.39) PTGS2CA1CA2CA4CA7
SCHEMBL6723645 0.89 PTGS2 (0.40) PTGS2CA1CA2CA4CA7
SCHEMBL6721774 0.88 PTGS2 (0.47) NR1H2NR1H3PTGS2S1PR1KIF11
SCHEMBL6718244 0.87 PTGS2 (0.52) NR1H2NR1H3PTGS2S1PR1KIF11
SCHEMBL6726081 0.86 PTGS2 (0.40) PTGS2CA1CA2CA4CA7
SCHEMBL6723018 0.86 CA1 (0.38) PTGS2CA1CA2CA4CA7
SCHEMBL7042225 0.86 PTGS2 (0.43) PTGS2CA1CA2CA4CA7
SCHEMBL6726764 0.85 PTGS2 (0.42) PTGS2KIF11

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 NR1H2 282/4885NR1H3 570/4885PTGS2 5/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 NR1H2 242/4885NR1H3 459/4885PTGS2 5/4885

“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.