SCHEMBL6729121

SCHEMBL6729121

NS(=O)(=O)c1c(F)cc(-c2csc(=O)n2-c2cccc(C(F)(F)F)c2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
PTGES2 Q9H7Z7 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G10 O15496 1/20 0.35
RGS4 P49798 1/20 0.35
RGS8 P57771 1/20 0.35
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35

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
SCHEMBL6735736 0.88 PTGS2 (0.43) CA12CA1CA2CA9
SCHEMBL6723252 0.87 PTGS2 (0.37) GAACYP1A2MAPTTP53PTGES2
SCHEMBL6737335 0.86 CA1 (0.36) CA12CA1CA2CA9
SCHEMBL6728919 0.85 PTGS2 (0.43) CYP1A2MAPTPTGES2CA12CA1
SCHEMBL6729851 0.85 PTGES2 (0.35) PTGES2CA1CA2
SCHEMBL6740773 0.84 CA1 (0.39) CA12CA1CA2CA9LMNA
SCHEMBL6729254 0.82 CA1 (0.37) PTGES2CA12CA1CA2CA9
SCHEMBL6734798 0.82 CA1 (0.38) CA12CA1CA2CA9
SCHEMBL6732364 0.81 GAA (0.37) GAACYP1A2MAPTTP53PTGES2
SCHEMBL6734605 0.81 KIF11 (0.37) CA12CA1CA2CA9TSHR

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 GAA 3592/4885CYP1A2 402/4885MAPT 4545/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 GAA 3592/4885CYP1A2 402/4885MAPT 4545/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 GAA 3592/4885CYP1A2 402/4885MAPT 4545/4885

“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.