SCHEMBL6733692

SCHEMBL6733692

CS(=O)(=O)c1cc(F)c(-c2nc(C(F)(F)F)[nH]c2-c2ccc(Cl)c(Cl)c2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRAF P15056 5/20 0.38
PTGS2 P35354 5/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MAPK14 Q16539 1/20 0.33
ALOX5 P09917 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
SCHEMBL6728472 0.92 PTGS2 (0.45) SCN9ABRAFPTGS2ESR1ESR2
SCHEMBL6728639 0.92 PTGS2 (0.45) SCN9ABRAFPTGS2ESR1ESR2
SCHEMBL6729150 0.89 PTGS2 (0.42) SCN9ABRAFPTGS2ESR1ESR2
SCHEMBL6733971 0.89 PTGS2 (0.47) SCN9ALMNANPSR1PTGS2
SCHEMBL6733928 0.89 PTGS2 (0.42) SCN9ALMNANPSR1BRAFPTGS2
SCHEMBL6735451 0.88 PTGS2 (0.38) BRAFPTGS2ESR1ESR2NR1H2
SCHEMBL6718671 0.87 BRAF (0.43) LMNANPSR1BRAFPTGS2ESR1
SCHEMBL6735914 0.87 BRAF (0.38) SCN9ABRAFPTGS2ESR1ESR2
SCHEMBL6734677 0.87 BRAF (0.44) LMNANPSR1BRAFPTGS2ESR1
SCHEMBL6733161 0.87 NR1H2 (0.40) SCN9ABRAFPTGS2ESR1ESR2

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 SCN9A 4450/4885LMNA 2247/4885NPSR1 533/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 SCN9A 4450/4885LMNA 2247/4885NPSR1 533/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 SCN9A 4450/4885LMNA 2247/4885NPSR1 533/4885

“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.