SCHEMBL6741262

SCHEMBL6741262

Cc1cc(-c2[nH]c(C(F)(F)F)nc2-c2cc(F)c(S(C)(=O)=O)cc2F)ccc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.37
NR1H2 P55055 5/20 0.35
NR1H3 Q13133 4/20 0.35
GRM2 Q14416 6/20 0.35
SCN5A Q14524 1/20 0.35
PTGS1 P23219 3/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SCN9A Q15858 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
SCHEMBL6728691 0.93 NR1H2 (0.34) PTGS2NR1H2NR1H3GRM2ESR1
SCHEMBL6723012 0.89 GRM2 (0.38) PTGS2GRM2SCN5APTGS1ESR1
SCHEMBL6737168 0.88 PTGS2 (0.42) PTGS2NR1H2NR1H3PTGS1ESR1
SCHEMBL6733585 0.88 PTGS2 (0.42) PTGS2NR1H2NR1H3PTGS1ESR1
SCHEMBL6735775 0.87 PTGS2 (0.36) PTGS2NR1H2NR1H3GRM2SCN5A
SCHEMBL6736484 0.86 NR1H2 (0.39) PTGS2NR1H2NR1H3GRM2PTGS1
SCHEMBL6734216 0.86 ESR1 (0.37) PTGS2NR1H2NR1H3SCN5APTGS1
SCHEMBL6730507 0.85 NR1H2 (0.35) PTGS2NR1H2NR1H3PTGS1ESR1
SCHEMBL6728639 0.85 PTGS2 (0.45) PTGS2NR1H2NR1H3PTGS1ESR1
SCHEMBL6736737 0.84 NR1H2 (0.39) PTGS2NR1H2NR1H3ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 US disclosed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 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 10/4885NR1H2 173/4885NR1H3 299/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885NR1H2 173/4885NR1H3 299/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885NR1H2 173/4885NR1H3 299/4885

“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.