SCHEMBL6836749

SCHEMBL6836749

Cc1cc(-c2cccnc2-c2cc(S(N)(=O)=O)ccc2F)ccc1Br

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.48
PTGS1 P23219 13/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
TGFBR1 P36897 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL6836153 0.91 CA1 (0.46) PTGS2PTGS1CA1CA2TGFBR1
SCHEMBL6837638 0.91 PTGS2 (0.56) PTGS2PTGS1CA1CA2TGFBR1
SCHEMBL6837849 0.90 CA1 (0.48) PTGS2PTGS1CA1CA2CA12
SCHEMBL6833072 0.89 CA1 (0.47) PTGS2PTGS1CA1CA2TGFBR1
SCHEMBL6836475 0.88 PTGS2 (0.59) PTGS2PTGS1CA1CA2
SCHEMBL6840873 0.86 CA2 (0.49) PTGS2PTGS1CA1CA2CA12
SCHEMBL6841826 0.86 PTGS2 (0.56) PTGS2PTGS1CA1CA2CDK4
SCHEMBL6840854 0.86 PTGS2 (0.46) PTGS2PTGS1CA1CA2TGFBR1
SCHEMBL6838940 0.86 CA1 (0.51) PTGS2PTGS1CA1CA2CA12
SCHEMBL6834774 0.86 PTGS2 (0.59) PTGS2PTGS1CA1CA2

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 5 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 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 4/4885CA1 2085/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CA1 2085/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CA1 2085/4885

“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.