SCHEMBL6732685

SCHEMBL6732685

Cc1cccc(-c2ccncc2-c2cc(F)c(S(C)(=O)=O)cc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 6/20 0.56
NR1H2 P55055 3/20 0.44
NR1H3 Q13133 3/20 0.44
SLC22A12 Q96S37 2/20 0.44
PTGS2 P35354 2/20 0.44
CYP17A1 P05093 2/20 0.41
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MAPK14 Q16539 2/20 0.36
PTGS1 P23219 1/20 0.36
SDHB P21912 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36

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
SCHEMBL6732542 0.89 SLC22A12 (0.56) RPS6KA3NR1H2NR1H3SLC22A12PTGS2
SCHEMBL6735761 0.89 PTGS2 (0.46) RPS6KA3NR1H2NR1H3SLC22A12PTGS2
SCHEMBL6739704 0.88 RPS6KA3 (0.50) RPS6KA3NR1H2NR1H3SLC22A12PTGS2
SCHEMBL6735505 0.87 NR1H2 (0.43) RPS6KA3NR1H2NR1H3SLC22A12PTGS2
SCHEMBL6740020 0.87 NR1H2 (0.43) RPS6KA3NR1H2NR1H3SLC22A12PTGS2
SCHEMBL7116024 0.87 RPS6KA3 (0.64) RPS6KA3NR1H2NR1H3SLC22A12PTGS2
SCHEMBL6737535 0.87 PTGS2 (0.44) RPS6KA3NR1H2NR1H3SLC22A12PTGS2
SCHEMBL6732390 0.86 PTGS2 (0.49) RPS6KA3NR1H2NR1H3SLC22A12PTGS2
SCHEMBL6734300 0.86 RPS6KA3 (0.53) RPS6KA3SLC22A12PTGS2CYP17A1PTGS1
SCHEMBL6736544 0.85 NR1H2 (0.49) RPS6KA3NR1H2NR1H3SLC22A12PTGS2

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 RPS6KA3 1600/4885NR1H2 173/4885NR1H3 299/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 RPS6KA3 1600/4885NR1H2 173/4885NR1H3 299/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 RPS6KA3 1600/4885NR1H2 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.