SCHEMBL6743791

SCHEMBL6743791

NS(=O)(=O)c1cc(F)c(C2=C(c3cccc(C(F)(F)F)c3)CCC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.46
PTGS1 P23219 6/20 0.46
PTGES2 Q9H7Z7 2/20 0.42
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
LMNA P02545 1/20 0.37
AR P10275 1/20 0.37
F10 P00742 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
CHRNA7 P36544 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
SCHEMBL6726043 0.87 PTGS2 (0.54) PTGS2PTGS1PTGES2ALOX5APFEN1
SCHEMBL6735757 0.87 PTGS2 (0.61) PTGS2PTGS1ALOX5APFEN1
SCHEMBL6735951 0.85 PTGS2 (0.45) PTGS2PTGS1PTGES2
SCHEMBL6739151 0.84 PTGS2 (0.48) PTGS2PTGS1PTGES2ALOX5APFEN1
SCHEMBL6736669 0.83 PTGS2 (0.43) PTGS2PTGS1PTGES2AKR1C3AKR1C2
SCHEMBL6735460 0.83 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6731459 0.83 PTGS2 (0.43) PTGS2PTGS1PTGES2
SCHEMBL6736194 0.83 PTGES2 (0.45) PTGS2PTGS1PTGES2
SCHEMBL6731757 0.81 PTGS2 (0.40) PTGS2PTGS1PTGES2ALOX5APFEN1
SCHEMBL6739688 0.81 PTGS2 (0.52) PTGS2PTGS1PTGES2CHRNA7

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 PTGS2 10/4885PTGS1 4/4885PTGES2 8/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885PTGES2 8/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885PTGES2 8/4885

“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.