SCHEMBL6733741

SCHEMBL6733741

COc1ccc(C2=C(c3cc(F)c(S(C)(=O)=O)cc3F)COC2=O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.51
CYP19A1 P11511 3/20 0.48
PTGS1 P23219 8/20 0.46

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
SCHEMBL6739033 0.92 CYP19A1 (0.48) PTGS2CYP19A1PTGS1
SCHEMBL6734642 0.91 PTGS2 (0.52) PTGS2CYP19A1PTGS1
SCHEMBL6727782 0.88 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6730326 0.88 CYP19A1 (0.56) PTGS2CYP19A1PTGS1
SCHEMBL6729351 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL6740010 0.84 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6733238 0.84 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL6731568 0.83 CYP19A1 (0.47) PTGS2CYP19A1PTGS1
SCHEMBL6729626 0.82 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6736275 0.82 CYP19A1 (0.54) PTGS2CYP19A1PTGS1

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 5 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-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 10/4885CYP19A1 703/4885PTGS1 4/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885CYP19A1 703/4885PTGS1 4/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885CYP19A1 703/4885PTGS1 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.