SCHEMBL6733816

SCHEMBL6733816

Cc1ccc(-c2ccncc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)cc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 12/20 0.43
PTGS2 P35354 3/20 0.42
GPBAR1 Q8TDU6 1/20 0.35
CYP17A1 P05093 2/20 0.35
RPS6KA2 Q15349 1/20 0.35
RPS6KA1 Q15418 1/20 0.35
SLC22A12 Q96S37 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
SCHEMBL6736657 0.92 RPS6KA3 (0.43) RPS6KA3PTGS2GPBAR1CYP17A1RPS6KA2
SCHEMBL7047515 0.89 PTGS2 (0.42) RPS6KA3PTGS2GPBAR1CYP17A1SLC22A12
SCHEMBL6732040 0.85 RPS6KA3 (0.51) RPS6KA3PTGS2CYP17A1RPS6KA2RPS6KA1
SCHEMBL6732776 0.84 RPS6KA3 (0.52) RPS6KA3PTGS2RPS6KA2RPS6KA1SLC22A12
SCHEMBL6735040 0.84 RPS6KA3 (0.50) RPS6KA3PTGS2CYP17A1RPS6KA2RPS6KA1
SCHEMBL6728875 0.84 S1PR1 (0.47) RPS6KA3PTGS2GPBAR1CYP17A1SLC22A12
SCHEMBL6733042 0.83 PTGS2 (0.43) RPS6KA3PTGS2GPBAR1CYP17A1
SCHEMBL6729001 0.83 RPS6KA3 (0.39) RPS6KA3PTGS2CYP17A1SLC22A12
SCHEMBL6733105 0.82 PTGS2 (0.48) PTGS2
SCHEMBL6844127 0.82 RPS6KA3 (0.42) RPS6KA3PTGS2

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 1600/4885PTGS2 10/4885GPBAR1 180/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 RPS6KA3 1600/4885PTGS2 10/4885GPBAR1 180/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 RPS6KA3 1600/4885PTGS2 10/4885GPBAR1 180/4885

“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.