SCHEMBL6837013

SCHEMBL6837013

Cc1ccc(-c2cccnc2-c2cc(F)cc(S(N)(=O)=O)c2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.42
PTGS2 P35354 10/20 0.40
PTGS1 P23219 6/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
KIF11 P52732 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
TGFBR1 P36897 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34

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
SCHEMBL6836570 0.92 LRRK2 (0.40) LRRK2PTGS2PTGS1CA1CA2
SCHEMBL6838365 0.88 PTGS2 (0.50) LRRK2PTGS2PTGS1CA1CA2
SCHEMBL6839423 0.88 PTGS2 (0.44) LRRK2PTGS2PTGS1CA1CA2
SCHEMBL6837498 0.86 PTGS2 (0.40) LRRK2PTGS2PTGS1CA1CA2
SCHEMBL6897638 0.85 PTGS2 (0.53) PTGS2PTGS1CA1CA2
SCHEMBL6746250 0.85 FEN1 (0.39) LRRK2PTGS2PTGS1CA1CA2
SCHEMBL6839124 0.85 PTGS2 (0.36) LRRK2PTGS2PTGS1CA1CA2
SCHEMBL6834606 0.85 PTGS2 (0.52) LRRK2PTGS2PTGS1CA1CA2
SCHEMBL6835088 0.84 PTGS2 (0.40) LRRK2PTGS2PTGS1CA1CA2
SCHEMBL6837026 0.84 KIF11 (0.46) LRRK2PTGS2PTGS1CA1CA2

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 LRRK2 4493/4885PTGS2 10/4885PTGS1 4/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 LRRK2 4493/4885PTGS2 10/4885PTGS1 4/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 LRRK2 4493/4885PTGS2 10/4885PTGS1 4/4885

“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.