SCHEMBL6728465

SCHEMBL6728465

NS(=O)(=O)c1cc(F)c(C2=C(c3ccc(F)cc3)C(=O)OC2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 12/20 0.61
PTGS2 P35354 10/20 0.61
NR3C2 P08235 2/20 0.44
PGR P06401 1/20 0.44
ABCB11 O95342 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MT-CO2 P00403 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MC4R P32245 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL6734310 0.90 PTGS2 (0.49) PTGS1PTGS2NR3C2PGRABCB11
SCHEMBL6734787 0.90 PTGS2 (0.49) PTGS1PTGS2NR3C2PGRABCB11
SCHEMBL6732591 0.90 PTGS2 (0.58) PTGS1PTGS2NR3C2PGRABCB11
SCHEMBL6729196 0.90 PTGS1 (0.48) PTGS1PTGS2NR3C2PGRKMT2A
SCHEMBL6732486 0.89 PTGS1 (0.56) PTGS1PTGS2NR3C2PGR
SCHEMBL6733493 0.88 PTGS1 (0.47) PTGS1PTGS2NR3C2PGR
SCHEMBL6731878 0.88 PTGS1 (0.54) PTGS1PTGS2NR3C2PGRKMT2A
SCHEMBL6732461 0.88 PTGS2 (0.61) PTGS1PTGS2NR3C2PGRABCB11
SCHEMBL6729719 0.87 PTGS1 (0.46) PTGS1PTGS2NR3C2PGR
SCHEMBL6738808 0.87 PTGS2 (0.48) PTGS1PTGS2NR3C2PGRALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US 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 PTGS1 4/4885PTGS2 10/4885NR3C2 384/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS1 4/4885PTGS2 10/4885NR3C2 384/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS1 4/4885PTGS2 10/4885NR3C2 384/4885

“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.