SCHEMBL6734029

SCHEMBL6734029

Cc1csc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)CCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.34
ILK Q13418 2/20 0.34
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
PTGS1 P23219 3/20 0.32
ADORA2A P29274 1/20 0.31
RAB9A P51151 1/20 0.31
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
S100A4 P26447 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
SCHEMBL6726438 0.83 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL6739511 0.81 PTGES2 (0.37) PTGS2ILKRAB9ASCN9A
SCHEMBL6736647 0.80 PTGS2 (0.35) PTGS2ILKGABRA1GABRG2GABRB3
SCHEMBL6732857 0.79 PTGS2 (0.43) PTGS2GABRA1GABRG2GABRB3GABRA3
SCHEMBL6739283 0.77 TGFBR1 (0.36) PTGS2PTGS1
SCHEMBL6735435 0.75 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL6744930 0.75 TGFBR1 (0.39) PTGS2GABRA1GABRG2GABRB3GABRA3
SCHEMBL6736452 0.75 PTGS2 (0.37) PTGS2ILKGABRA1GABRG2GABRB3
SCHEMBL6737431 0.75 ALOX5AP (0.39) PTGS2PTGS1
SCHEMBL7047115 0.74 PTGS2 (0.47) 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 6 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-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 4818/4885GABRA1 1500/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885ILK 4818/4885GABRA1 1500/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885ILK 4818/4885GABRA1 1500/4885

“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.