SCHEMBL6740599

SCHEMBL6740599

Cc1cncc(-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 9/20 0.38
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
KMT2A Q03164 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PTGS1 P23219 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 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
SCHEMBL6738778 0.89 PTGS2 (0.41) PTGS2ALOX5APFEN1MEN1LMNA
SCHEMBL6733496 0.88 PTGS2 (0.43) PTGS2LMNAPTGS1CA1CA2
SCHEMBL6739862 0.86 PTGS2 (0.47) PTGS2ALOX5APFEN1LMNAF2
SCHEMBL6722670 0.86 PTGS2 (0.45) PTGS2S1PR1S1PR3ALOX5APFEN1
SCHEMBL6734532 0.86 PTGS2 (0.43) PTGS2LMNAF2F10PTGS1
SCHEMBL6736552 0.84 PTGS2 (0.40) PTGS2S1PR1F2F10PTGS1
SCHEMBL6733020 0.84 PTGS2 (0.33) PTGS2PTGS1CA1CA2CA4
SCHEMBL6736501 0.84 PTGS2 (0.40) PTGS2PTGS1CA1CA2CA4
SCHEMBL6734413 0.83 PTGS2 (0.40) PTGS2S1PR1S1PR3F2F10
SCHEMBL6728207 0.83 PTGS2 (0.42) PTGS2ALOX5APFEN1F2F10

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 10/4885S1PR1 297/4885S1PR3 541/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885S1PR1 297/4885S1PR3 541/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885S1PR1 297/4885S1PR3 541/4885

“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.