SCHEMBL6732682

SCHEMBL6732682

Cc1cc(-c2ccncc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 11/20 0.50
PTGS2 P35354 7/20 0.49
PTGS1 P23219 2/20 0.42
RPS6KA2 Q15349 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
CYP17A1 P05093 1/20 0.39
SLC22A12 Q96S37 1/20 0.39

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
SCHEMBL6735040 0.92 RPS6KA3 (0.50) RPS6KA3PTGS2PTGS1RPS6KA2RPS6KA1
SCHEMBL6732040 0.91 RPS6KA3 (0.51) RPS6KA3PTGS2RPS6KA2RPS6KA1CYP17A1
SCHEMBL6736727 0.91 RPS6KA3 (0.50) RPS6KA3PTGS2RPS6KA2RPS6KA1SLC22A12
SCHEMBL6734648 0.89 PTGS2 (0.52) RPS6KA3PTGS2PTGS1CYP17A1
SCHEMBL6729526 0.89 RPS6KA3 (0.47) RPS6KA3PTGS2PTGS1RPS6KA2RPS6KA1
SCHEMBL7114909 0.87 PTGS2 (0.49) RPS6KA3PTGS2PTGS1CYP17A1SLC22A12
SCHEMBL6729024 0.87 RPS6KA3 (0.45) RPS6KA3PTGS2CYP17A1SLC22A12
SCHEMBL6728588 0.87 RPS6KA3 (0.67) RPS6KA3PTGS2PTGS1RPS6KA2RPS6KA1
SCHEMBL6731945 0.86 PTGS2 (0.52) RPS6KA3PTGS2PTGS1RPS6KA2RPS6KA1
SCHEMBL6733147 0.86 RPS6KA3 (0.47) RPS6KA3PTGS2PTGS1RPS6KA2RPS6KA1

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 10/4885PTGS1 4/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 RPS6KA3 1600/4885PTGS2 10/4885PTGS1 4/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 RPS6KA3 1600/4885PTGS2 10/4885PTGS1 4/4885

“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.