SCHEMBL7110569

SCHEMBL7110569

O=S(=O)(O)c1ccc(-c2c(-c3ccc(F)cc3)noc2C(F)(F)F)cc1F

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.60
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
FFAR4 Q5NUL3 2/20 0.41
PTGS1 P23219 1/20 0.39
GABRA5 P31644 5/20 0.37
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7110830 0.92 PTGS2 (0.50) PTGS2ESR1ESR2FFAR4PTGS1
SCHEMBL6723456 0.88 PTGS2 (0.70) PTGS2ESR1ESR2FFAR4PTGS1
SCHEMBL6722713 0.88 PTGS2 (0.60) PTGS2ESR1ESR2FFAR4PTGS1
SCHEMBL7112086 0.88 PTGS2 (0.47) PTGS2ESR1ESR2FFAR4PTGS1
SCHEMBL6722083 0.80 PTGS2 (0.59) PTGS2ESR1ESR2FFAR4
SCHEMBL6718530 0.80 PTGS2 (0.59) PTGS2ESR1ESR2FFAR4PTGS1
SCHEMBL6721315 0.80 PTGS2 (0.59) PTGS2ESR1ESR2FFAR4PTGS1
SCHEMBL6726477 0.80 PTGS2 (0.59) PTGS2ESR1ESR2PTGS1
SCHEMBL6723321 0.80 PTGS2 (0.69) PTGS2ESR1ESR2FFAR4PTGS1
SCHEMBL6722957 0.80 PTGS2 (0.50) PTGS2ESR1ESR2FFAR4PTGS1

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
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO disclosed