SCHEMBL6733322

SCHEMBL6733322

N#Cc1cccc(-c2noc(C(F)(F)F)c2-c2cc(F)c(S(N)(=O)=O)cc2F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MAOB P27338 1/20 0.33
TRPA1 O75762 1/20 0.33
PIK3CA P42336 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 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
SCHEMBL6729523 0.89 PTGS2 (0.43) PTGS2F2F10ESR1ESR2
SCHEMBL6730063 0.87 PTGS2 (0.43) PTGS2F2F10PTGES2GABRG2
SCHEMBL6733233 0.87 PTGS2 (0.42) PTGS2PTGES2GABRG2GABRB3GABRA5
SCHEMBL6733255 0.87 PTGS2 (0.42) PTGS2F2F10PTGES2ESR1
SCHEMBL6733025 0.86 PTGS2 (0.41) PTGS2F2F10PTGES2ADORA2A
SCHEMBL6737328 0.86 PTGS2 (0.52) PTGS2F2F10PDE4AADORA1
SCHEMBL6734532 0.85 PTGS2 (0.43) PTGS2F2F10PDE4AADORA1
SCHEMBL6734793 0.85 PTGS2 (0.40) PTGS2F2F10PDE4APDE4C
SCHEMBL6733145 0.85 PTGS2 (0.40) PTGS2F2F10PTGES2PDE4A
SCHEMBL6733968 0.85 PTGS2 (0.45) PTGS2PTGES2GABRG2GABRB3GABRA5

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 11 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 claimed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US claimed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US claimed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US claimed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP 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 10/4885F2 337/4885F10 970/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885F2 337/4885F10 970/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885F2 337/4885F10 970/4885

“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.