SCHEMBL6734409

SCHEMBL6734409

CS(=O)(=O)c1cc(F)c(-c2cnccc2-c2ccc(Br)c(Br)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
RPS6KA3 P51812 7/20 0.36
SLC22A12 Q96S37 2/20 0.36
ALOX5AP P20292 4/20 0.35
FEN1 P39748 3/20 0.35
CYP17A1 P05093 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
BLM P54132 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6728545 0.91 PTGS2 (0.47) PTGS2NR1H2NR1H3RPS6KA3SLC22A12
SCHEMBL6732444 0.91 PTGS2 (0.47) PTGS2NR1H2NR1H3RPS6KA3SLC22A12
SCHEMBL6732643 0.88 PTGS2 (0.48) PTGS2NR1H2NR1H3RPS6KA3SLC22A12
SCHEMBL7537735 0.88 RPS6KA3 (0.43) PTGS2RPS6KA3SLC22A12ALOX5APFEN1
SCHEMBL6730142 0.86 PTGS2 (0.49) PTGS2NR1H2NR1H3RPS6KA3SLC22A12
SCHEMBL6728758 0.85 PTGS2 (0.43) PTGS2NR1H2NR1H3RPS6KA3SLC22A12
SCHEMBL6732701 0.85 PTGS2 (0.50) PTGS2RPS6KA3SLC22A12CYP17A1CYP3A4
SCHEMBL6740020 0.85 NR1H2 (0.43) PTGS2NR1H2NR1H3RPS6KA3SLC22A12
SCHEMBL6729069 0.84 PTGS2 (0.50) PTGS2NR1H2NR1H3RPS6KA3SLC22A12
SCHEMBL6733477 0.84 PTGS2 (0.50) PTGS2NR1H2NR1H3RPS6KA3SLC22A12

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 10/4885NR1H2 173/4885NR1H3 299/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885NR1H2 173/4885NR1H3 299/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885NR1H2 173/4885NR1H3 299/4885

“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.