SCHEMBL6735229

SCHEMBL6735229

Cc1ccc(-n2c(-c3cc(F)c(S(N)(=O)=O)c(F)c3)csc2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.41
CA12 O43570 7/20 0.41
CA1 P00915 7/20 0.41
CA9 Q16790 7/20 0.41
PTGS1 P23219 7/20 0.39
PTGS2 P35354 7/20 0.39
CHRNA7 P36544 1/20 0.35
PDPK1 O15530 2/20 0.35
PTGES O14684 1/20 0.35
HDAC3 O15379 1/20 0.35
PDE5A O76074 1/20 0.35
ABCB11 O95342 1/20 0.35
MT-CO2 P00403 1/20 0.35
LMNA P02545 1/20 0.35
CA3 P07451 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL6735548 0.90 PTGS2 (0.41) CA2CA12CA1CA9PTGS1
SCHEMBL6739922 0.89 CA2 (0.42) CA2CA12CA1CA9PTGS1
SCHEMBL6735669 0.89 CA12 (0.33) CA2CA12CA1CA9PTGS1
SCHEMBL6729677 0.88 CA1 (0.37) CA2CA12CA1CA9PTGS1
SCHEMBL6733869 0.88 PTGS2 (0.35) CA2CA12CA1CA9PTGS1
SCHEMBL6732752 0.88 PTGS2 (0.36) CA2CA12CA1CA9PTGS1
SCHEMBL6739760 0.88 PTGS2 (0.41) CA2CA12CA1CA9PTGS1
SCHEMBL6734798 0.86 CA1 (0.38) CA2CA12CA1CA9PTGS1
SCHEMBL6728377 0.86 PTGS2 (0.32) CA2CA12CA1CA9PTGS1
SCHEMBL6735120 0.86 PTGS2 (0.32) CA2CA12CA1CA9PTGS1

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 CA2 3175/4885CA12 4391/4885CA1 2085/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CA2 3175/4885CA12 4391/4885CA1 2085/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CA2 3175/4885CA12 4391/4885CA1 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.