SCHEMBL6733244

SCHEMBL6733244

CS(=O)(=O)c1cc(F)c(C2=C(c3ccc(OC(F)(F)F)cc3)C=CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.41
KIF11 P52732 1/20 0.38
PTGS1 P23219 1/20 0.34
SCN9A Q15858 3/20 0.33
SCN5A Q14524 1/20 0.32
GRM2 Q14416 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 1/20 0.31
CACNA1B Q00975 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GPR3 P46089 1/20 0.31
KAT6A Q92794 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL6735425 0.89 NR1H2 (0.36) SCN9ANR1H2NR1H3CACNA1BKAT6A
SCHEMBL6733318 0.85 PTGS2 (0.33) PTGS2NR1H2NR1H3
SCHEMBL6728333 0.85 PTGS2 (0.39) PTGS2PTGS1SCN9ASCN5AGRM2
SCHEMBL6735611 0.85 ALOX5AP (0.41) PTGS2KIF11PTGS1NR1H2NR1H3
SCHEMBL6733488 0.85 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL6732652 0.84 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6735005 0.83 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL6733044 0.83 PTGS2 (0.33) PTGS2PTGS1ALOX5APFEN1
SCHEMBL6733002 0.83 ACLY (0.41) PTGS2PTGS1NR1H2NR1H3ALOX5AP
SCHEMBL6737306 0.82 PTGS2 (0.41) PTGS2PTGS1ALOX5APFEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 US disclosed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US disclosed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US disclosed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US disclosed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP 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 (3 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-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885KIF11 4765/4885PTGS1 4/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885KIF11 4765/4885PTGS1 4/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885KIF11 4765/4885PTGS1 4/4885

“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.