SCHEMBL6838591

SCHEMBL6838591

Cc1cncc(-c2cccnc2-c2cc(S(N)(=O)=O)ccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.46
CA2 P00918 8/20 0.46
PTGS2 P35354 10/20 0.44
PTGS1 P23219 5/20 0.44
CDK4 P11802 2/20 0.39
CDK2 P24941 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CCNE1 P24864 1/20 0.38

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
SCHEMBL6838830 0.89 CA1 (0.49) CA1CA2PTGS2PTGS1CDK4
SCHEMBL6840727 0.86 CA1 (0.47) CA1CA2PTGS2PTGS1CDK4
SCHEMBL6835866 0.86 PTGS2 (0.52) CA1CA2PTGS2PTGS1CA12
SCHEMBL6841826 0.86 PTGS2 (0.56) CA1CA2PTGS2PTGS1CDK4
SCHEMBL6750085 0.84 ALOX5AP (0.39) CA1CA2PTGS2PTGS1
SCHEMBL6832966 0.83 CA1 (0.53) CA1CA2PTGS2PTGS1CA12
SCHEMBL6833662 0.82 PTGS2 (0.43) CA1CA2PTGS2PTGS1CA12
SCHEMBL6839563 0.82 PTGS2 (0.52) CA1CA2PTGS2PTGS1CA12
SCHEMBL6745954 0.82 PTGS2 (0.42) CA1CA2PTGS2PTGS1
SCHEMBL6833072 0.82 CA1 (0.47) CA1CA2PTGS2PTGS1CA12

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 CA1 2085/4885CA2 3175/4885PTGS2 10/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CA1 2085/4885CA2 3175/4885PTGS2 10/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CA1 2085/4885CA2 3175/4885PTGS2 10/4885

“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.