SCHEMBL6733028

SCHEMBL6733028

Cc1cncc(-n2c(-c3cc(F)c(S(N)(=O)=O)cc3F)csc2=O)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.32
ILK Q13418 2/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL6737590 0.90 CYP11B1 (0.31) PTGS2CYP11B1CYP11B2
SCHEMBL6736244 0.88 CA12 (0.32) PTGS2ILKCA12CA1CA2
SCHEMBL6734008 0.84 PTGS2 (0.39) PTGS2CA12CA1CA2CA9
SCHEMBL6721442 0.84 PTGS2 (0.38) PTGS2CYP11B1CYP11B2CA12CA1
SCHEMBL6733052 0.83 CYP11B1 (0.35) PTGS2ILKCYP11B1CYP11B2CA12
SCHEMBL6729010 0.81 PTGS2 (0.42) PTGS2
SCHEMBL6735831 0.81 CA12 (0.33) ILKCA12CA1CA2CA9
SCHEMBL6732673 0.81 CA12 (0.33) PTGS2CA12CA1CA2CA9
SCHEMBL6738969 0.81 PTGS2 (0.38) PTGS2CA12CA1CA2CA9
SCHEMBL6741323 0.81 PTGS2 (0.35) PTGS2CA12CA1CA2CA9

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 PTGS2 10/4885ILK 4818/4885CYP11B1 583/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885ILK 4818/4885CYP11B1 583/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885ILK 4818/4885CYP11B1 583/4885

“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.