SCHEMBL6735976

SCHEMBL6735976

COc1ccc(-n2nc(C(F)(F)F)cc2-c2cc(F)c(S(C)(=O)=O)cc2F)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.61
PTGS1 P23219 6/20 0.59
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
HIF1A Q16665 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
F10 P00742 1/20 0.51

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
SCHEMBL6734149 0.91 PTGS2 (0.50) PTGS2PTGS1CYP2C9
SCHEMBL6735242 0.89 PTGS2 (0.64) PTGS2PTGS1CYP2C9
SCHEMBL6728825 0.88 PTGS2 (0.63) PTGS2PTGS1CYP3A4CYP2C9TSHR
SCHEMBL6739656 0.88 PTGS2 (0.54) PTGS2PTGS1CYP2C9
SCHEMBL6729271 0.87 PTGS2 (0.56) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL6735378 0.87 PTGS2 (0.56) PTGS2PTGS1CYP2C9
SCHEMBL6727883 0.87 PTGS2 (0.59) PTGS2PTGS1CYP2C9
SCHEMBL6733682 0.86 PTGS2 (0.51) PTGS2PTGS1CYP2C9
SCHEMBL6733330 0.85 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL6732351 0.85 PTGS2 (0.49) PTGS2PTGS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 10/4885PTGS1 4/4885CYP1A2 402/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CYP1A2 402/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CYP1A2 402/4885

“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.