SCHEMBL6733407

SCHEMBL6733407

CS(=O)(=O)c1cc(F)c(-c2nc(C(F)F)[nH]c2-c2cccc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN9A Q15858 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
MAPK14 Q16539 2/20 0.37
DHODH Q02127 3/20 0.35
KDM5A P29375 1/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
GSK3B P49841 1/20 0.34
PTGES O14684 1/20 0.34
PTGS1 P23219 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
TRPV3 Q8NET8 1/20 0.33
ADORA2A P29274 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
SCHEMBL6734274 0.90 PTGS2 (0.35) SCN9AKCNH2SCN10ANR1H2PTGS1
SCHEMBL6722868 0.88 MAPK14 (0.42) XDHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6728551 0.87 KCNH2 (0.40) XDHCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6728226 0.86 MAPK14 (0.40) MAPK14NR1H2NR1H3
SCHEMBL6736125 0.85 SCD (0.37) MAPK14NR1H2NR1H3
SCHEMBL6732500 0.84 MAPK14 (0.39) MAPK14NR1H2NR1H3PTGS1
SCHEMBL6734213 0.84 GRM2 (0.33) SCN9ANR1H2NR1H3
SCHEMBL6735775 0.84 PTGS2 (0.36) SCN9ANR1H2NR1H3PTGS1
SCHEMBL6739660 0.84 ALDH1A1 (0.43) MAPK14NR1H2NR1H3PTGS1
SCHEMBL6734127 0.84 MAPK14 (0.40) XDHCYP1A2CYP3A4CYP2C9CYP2C19

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 XDH 219/4885CYP1A2 402/4885CYP3A4 1338/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 XDH 219/4885CYP1A2 402/4885CYP3A4 1338/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 XDH 219/4885CYP1A2 402/4885CYP3A4 1338/4885

“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.