SCHEMBL6735171

SCHEMBL6735171

Cc1csc(-c2noc(C(F)(F)F)c2-c2cc(F)c(S(N)(=O)=O)c(F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.39
PTGS2 P35354 4/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA7 P43166 4/20 0.34
CA4 P22748 3/20 0.34
CA12 O43570 2/20 0.32
CA9 Q16790 1/20 0.32
TGFBR1 P36897 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL6736956 0.87 PTGS2 (0.43) SMPD1PTGS2MEN1LMNAKMT2A
SCHEMBL6730055 0.87 PTGS2 (0.42) SMPD1PTGS2MEN1LMNAHSP90AA1
SCHEMBL6735617 0.83 LMNA (0.51) PTGS2MEN1LMNAHSP90AA1HSP90AB1
SCHEMBL6733201 0.83 PTGS2 (0.41) PTGS2CA1CA2CA7CA4
SCHEMBL6734627 0.83 CA1 (0.37) PTGS2CA1CA2CA7CA4
SCHEMBL6736171 0.82 PTGS2 (0.40) SMPD1PTGS2CA1CA2CA7
SCHEMBL6732714 0.82 MEN1 (0.38) SMPD1PTGS2MEN1LMNAHSP90AA1
SCHEMBL6721334 0.82 PTGS2 (0.47) SMPD1PTGS2MEN1LMNAHSP90AA1
SCHEMBL6732654 0.80 PTGS2 (0.54) PTGS2LMNACA1CA2CA7
SCHEMBL6735767 0.80 PTGS2 (0.46) PTGS2MEN1LMNAHSP90AA1HSP90AB1

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 SMPD1 1275/4885PTGS2 10/4885MEN1 4322/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 SMPD1 1275/4885PTGS2 10/4885MEN1 4322/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 SMPD1 1275/4885PTGS2 10/4885MEN1 4322/4885

“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.