SCHEMBL6729677

SCHEMBL6729677

Cc1cc(-n2c(-c3cc(F)c(S(N)(=O)=O)c(F)c3)csc2=O)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
PTGS2 P35354 8/20 0.36
PTGS1 P23219 6/20 0.36
CA12 O43570 2/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
LMNA P02545 1/20 0.32
CA9 Q16790 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
SCHEMBL6732752 0.93 PTGS2 (0.36) CA1CA2CA5ACA5BPTGS2
SCHEMBL6728377 0.91 PTGS2 (0.32) CA1CA2CA5BPTGS2PTGS1
SCHEMBL6733869 0.91 PTGS2 (0.35) CA1CA2CA5ACA5BPTGS2
SCHEMBL6739250 0.90 PTGS2 (0.40) PTGS2PTGS1
SCHEMBL6734798 0.89 CA1 (0.38) CA1CA2PTGS2PTGS1CA12
SCHEMBL6735120 0.89 PTGS2 (0.32) CA1CA2CA5BPTGS2PTGS1
SCHEMBL6735229 0.88 CA2 (0.41) CA1CA2CA5ACA5BPTGS2
SCHEMBL6734605 0.88 KIF11 (0.37) CA1CA2CA5ACA5BPTGS2
SCHEMBL6733204 0.88 PTGS2 (0.40) PTGS2PTGS1LMNA
SCHEMBL6739274 0.87 AR (0.36) PTGS2PTGS1

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 CA1 2085/4885CA2 3175/4885CA5A 3494/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CA1 2085/4885CA2 3175/4885CA5A 3494/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CA1 2085/4885CA2 3175/4885CA5A 3494/4885

“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.