SCHEMBL6729488

SCHEMBL6729488

N#Cc1ccc(-c2noc(C(F)F)c2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 4/20 0.37
CA12 O43570 3/20 0.37
PTGS2 P35354 6/20 0.37
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
CA13 Q8N1Q1 1/20 0.34
PTGS1 P23219 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
PTGES2 Q9H7Z7 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 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
SCHEMBL6739863 0.89 PTGES2 (0.37) CA1CA2CA9MAOBCA13
SCHEMBL6728202 0.88 PTGS2 (0.46) CA1CA2PTGS2PTGS1CA4
SCHEMBL6721402 0.88 PTGS2 (0.40) CA1CA2CA9CA12PTGS2
SCHEMBL6733819 0.86 PTGS2 (0.37) CA1CA2CA9CA12PTGS2
SCHEMBL6731492 0.86 PTGS2 (0.49) CA1CA2CA9CA12PTGS2
SCHEMBL6737330 0.86 PTGS2 (0.41) CA1CA2CA9CA12PTGS2
SCHEMBL6728984 0.86 PTGS2 (0.37) CA1CA2CA9CA12PTGS2
SCHEMBL6732050 0.86 CA4 (0.39) CA1CA2CA9CA12PTGS2
SCHEMBL6734169 0.86 CA4 (0.41) CA1CA2CA9CA12PTGS2
SCHEMBL6740515 0.86 PTGS2 (0.41) CA1CA2CA9CA12PTGS2

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 CA1 2085/4885CA2 3175/4885CA9 4004/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CA1 2085/4885CA2 3175/4885CA9 4004/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CA1 2085/4885CA2 3175/4885CA9 4004/4885

“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.