SCHEMBL6735628

SCHEMBL6735628

COc1cc(-c2[nH]c(C(F)F)nc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)ccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.38
TEK Q02763 1/20 0.35
TYK2 P29597 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PTGS1 P23219 5/20 0.34
GRM2 Q14416 2/20 0.34
SCN9A Q15858 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL6736588 0.92 PTGS2 (0.45) PTGS2TEKPTGS1GRM2
SCHEMBL6722816 0.89 PTGS2 (0.38) PTGS2TEKTYK2TRPV1PTGS1
SCHEMBL6737037 0.89 CASP1 (0.36) PTGS2PTGS1SCN9ACASP1
SCHEMBL6734141 0.87 PTGS2 (0.42) PTGS2TYK2TRPV1PTGS1CASP1
SCHEMBL6732448 0.85 PTGS2 (0.42) PTGS2TYK2TRPV1PTGS1CASP1
SCHEMBL6734331 0.84 PTGS2 (0.47) PTGS2TYK2PTGS1CASP1
SCHEMBL6734050 0.84 PTGS2 (0.44) PTGS2TEKPTGS1SCN9ACASP1
SCHEMBL6731818 0.84 PTGS2 (0.38) PTGS2PTGS1CASP1
SCHEMBL6734361 0.83 PTGS2 (0.39) PTGS2TEKTRPV1PTGS1SCN9A
SCHEMBL6729768 0.82 PTGS2 (0.37) PTGS2TYK2PTGS1CASP1

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 10/4885TEK 767/4885TYK2 552/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885TEK 767/4885TYK2 552/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885TEK 767/4885TYK2 552/4885

“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.