SCHEMBL6733694

SCHEMBL6733694

Cc1cc(C2=C(c3cc(F)c(S(C)(=O)=O)cc3F)CC=C2)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.36
PTGS1 P23219 4/20 0.33
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL6733883 0.91 PTGS2 (0.36) PTGS2PTGS1NR1H2NR1H3
SCHEMBL6736959 0.91 PTGS2 (0.32) PTGS2PTGS1
SCHEMBL6733271 0.90 PTGS2 (0.46) PTGS2PTGS1NR1H2NR1H3
SCHEMBL6735812 0.90 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6737139 0.87 PTGS2 (0.38) PTGS2PTGS1
SCHEMBL6735110 0.87 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6733044 0.86 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL6732652 0.85 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6737306 0.85 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL6728360 0.85 NR1H2 (0.39) PTGS2PTGS1NR1H2NR1H3

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 5 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 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 4/4885NR1H2 173/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885NR1H2 173/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885NR1H2 173/4885

“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.