SCHEMBL6735261

SCHEMBL6735261

COc1cc(-c2noc(C(F)(F)F)c2-c2cc(F)c(S(N)(=O)=O)c(F)c2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.43
PTGS1 P23219 6/20 0.43
CA4 P22748 1/20 0.43
PAX8 Q06710 1/20 0.38
RIPK2 O43353 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
DYRK1A Q13627 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
SCHEMBL6736517 0.92 PTGS2 (0.46) PTGS2PTGS1CA4
SCHEMBL6723322 0.89 PTGS2 (0.43) PTGS2PTGS1CA4PAX8RIPK2
SCHEMBL6736155 0.88 PTGS2 (0.47) PTGS2PTGS1CA4ESR1ESR2
SCHEMBL6736237 0.88 PTGS2 (0.46) PTGS2PTGS1CA4ESR1ESR2
SCHEMBL6733354 0.87 PAX8 (0.52) PTGS2PTGS1CA4PAX8MEN1
SCHEMBL6733770 0.85 PTGS2 (0.46) PTGS2PTGS1CA4ESR1ESR2
SCHEMBL6725669 0.84 PTGS2 (0.48) PTGS2PTGS1CA4PAX8RIPK2
SCHEMBL6735200 0.84 CA4 (0.45) PTGS2PTGS1CA4PAX8MEN1
SCHEMBL6741063 0.84 PTGS2 (0.46) PTGS2PTGS1CA4PAX8MEN1
SCHEMBL6739473 0.84 PTGS2 (0.41) PTGS2PTGS1CA4PAX8RIPK2

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 10/4885PTGS1 4/4885CA4 3569/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CA4 3569/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CA4 3569/4885

“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.