SCHEMBL6736611

SCHEMBL6736611

NS(=O)(=O)c1c(F)cc(-c2c(-c3cccc(OC(F)(F)F)c3)noc2C(F)(F)F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.43
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PTGES2 Q9H7Z7 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
PTGS1 P23219 1/20 0.37
GRM5 P41594 1/20 0.36
KDM5A P29375 1/20 0.36
XDH P47989 1/20 0.36
ATR Q13535 1/20 0.35
DHFR P00374 1/20 0.35
USP7 Q93009 1/20 0.35
DHODH Q02127 3/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
S1PR1 P21453 1/20 0.34
DPP4 P27487 1/20 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
SCHEMBL6738829 0.89 PTGS2 (0.47) PTGS2ESR1ESR2PTGS1
SCHEMBL6721357 0.88 PTGS2 (0.43) PTGS2ESR1ESR2PTGES2PTGS1
SCHEMBL6729848 0.88 PTGS2 (0.45) PTGS2PTGES2CA1CA2CA4
SCHEMBL6729833 0.86 PTGS2 (0.46) PTGS2ESR1ESR2CA1CA2
SCHEMBL6732804 0.86 PTGS2 (0.48) PTGS2PTGES2CA1CA2CA4
SCHEMBL6736957 0.85 PTGS2 (0.47) PTGS2PTGES2CA1CA2CA4
SCHEMBL6736250 0.85 PTGS2 (0.46) PTGS2ESR1ESR2PTGES2CA1
SCHEMBL6735443 0.85 PTGS2 (0.58) PTGS2ESR1ESR2CA1CA2
SCHEMBL6734562 0.84 PTGS2 (0.45) PTGS2ESR1ESR2CA1CA2
SCHEMBL6739960 0.84 PTGS2 (0.47) PTGS2ESR1ESR2CA1CA2

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 11 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 claimed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US claimed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US claimed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US claimed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP 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 10/4885ESR1 1259/4885ESR2 201/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885ESR1 1259/4885ESR2 201/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885ESR1 1259/4885ESR2 201/4885

“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.