SCHEMBL6735159

SCHEMBL6735159

NS(=O)(=O)c1c(F)cc(C2=C(c3cccnc3)CCC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.49
PTGS1 P23219 6/20 0.46
CA9 Q16790 3/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
CYP2C19 P33261 1/20 0.39
ERN1 O75460 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CYP11B2 P19099 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA4 P43681 1/20 0.38
CYP11B1 P15538 2/20 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
SCHEMBL6721929 0.85 PTGS2 (0.50) PTGS2PTGS1CA9CA2CA12
SCHEMBL6739430 0.83 PTGS2 (0.60) PTGS2PTGS1CA2CA12CA1
SCHEMBL6736954 0.80 CA2 (0.41) PTGS2PTGS1CA9CA2CA12
SCHEMBL6732412 0.80 PTGS2 (0.46) PTGS2PTGS1CA9CA2CA12
SCHEMBL6729987 0.80 PTGS2 (0.52) PTGS2PTGS1CHRNB4CHRNA3
SCHEMBL6736169 0.80 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6735778 0.79 PTGS2 (0.46) PTGS2PTGS1CA2CA12CA1
SCHEMBL8658259 0.78 CA2 (0.69) PTGS2PTGS1CA9CA2CA12
SCHEMBL6732371 0.77 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6737348 0.77 PTGS2 (0.67) 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 PTGS2 10/4885PTGS1 4/4885CA9 4004/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CA9 4004/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CA9 4004/4885

“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.