SCHEMBL6729938

SCHEMBL6729938

Cc1cc(-c2noc(C(F)(F)F)c2-c2cc(F)c(S(N)(=O)=O)cc2F)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.39
PTGS1 P23219 3/20 0.38
CA4 P22748 2/20 0.37
GRM2 Q14416 4/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
SCN5A Q14524 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
S1PR1 P21453 3/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 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
SCHEMBL6740098 0.93 PTGS2 (0.39) PTGS2PTGS1CA4GRM2CA1
SCHEMBL6733925 0.92 PTGS2 (0.43) PTGS2PTGS1CA4GRM2CA1
SCHEMBL6722607 0.89 PTGS2 (0.43) PTGS2PTGS1CA4GRM2CA1
SCHEMBL6733445 0.88 PTGS2 (0.43) PTGS2PTGS1CA4CA1CA2
SCHEMBL6736457 0.88 PTGS2 (0.43) PTGS2PTGS1CA4CA1CA2
SCHEMBL6732691 0.87 PTGS2 (0.40) PTGS2PTGS1CA4GRM2CA1
SCHEMBL6732672 0.87 CA4 (0.38) PTGS2PTGS1CA4GRM2CA1
SCHEMBL6740170 0.87 PTGS2 (0.42) PTGS2PTGS1CA4CA1CA2
SCHEMBL6738837 0.87 PTGS2 (0.47) PTGS2PTGS1CA4CA1CA2
SCHEMBL6738668 0.87 PTGS2 (0.42) PTGS2PTGS1CA4CA1CA2

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 10/4885PTGS1 4/4885CA4 3569/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CA4 3569/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CA4 3569/4885

“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.