SCHEMBL6718629

SCHEMBL6718629

CS(=O)(=O)c1ccc(-c2c(-c3cccc(OC(F)(F)F)c3)noc2C(F)(F)F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.51
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
S1PR1 P21453 1/20 0.37
DHFR P00374 1/20 0.36
PTGS1 P23219 2/20 0.36
NR1H3 Q13133 5/20 0.36
NR1H2 P55055 4/20 0.36
DHODH Q02127 3/20 0.35
GRM5 P41594 1/20 0.35
KDM5A P29375 1/20 0.35
KCNH2 Q12809 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
CACNA1B Q00975 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL6721357 0.90 PTGS2 (0.43) PTGS2ESR1ESR2S1PR1DHFR
SCHEMBL6722651 0.90 PTGS2 (0.55) PTGS2ESR1ESR2PTGS1NR1H2
SCHEMBL6721931 0.89 PTGS2 (0.44) PTGS2S1PR1PTGS1DHODH
SCHEMBL6723316 0.87 PTGS2 (0.56) PTGS2ESR1ESR2PTGS1NR1H3
SCHEMBL6722921 0.87 PTGS2 (0.42) PTGS2S1PR1DHFRPTGS1NR1H3
SCHEMBL6725928 0.87 PTGS2 (0.36) PTGS2S1PR1DHFRPTGS1NR1H3
SCHEMBL6721690 0.86 PTGS2 (0.55) PTGS2ESR1ESR2PTGS1NR1H3
SCHEMBL6721754 0.86 PTGS2 (0.55) PTGS2ESR1ESR2PTGS1NR1H3
SCHEMBL6729995 0.86 PTGS2 (0.41) PTGS2S1PR1DHFRPTGS1NR1H2
SCHEMBL24334885 0.85 PTGS2 (0.69) PTGS2ESR1ESR2PTGS1

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.