SCHEMBL5778098

SCHEMBL5778098

CS(=O)(=O)c1ccc(-c2cc(=O)n(CC3CCCCC3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.66
PTGS1 P23219 10/20 0.66
PTGIR P43119 2/20 0.47
PTGDR Q13258 1/20 0.43

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
SCHEMBL5781551 0.99 PTGS2 (0.64) PTGS2PTGS1PTGIRPTGDR
SCHEMBL5778094 0.97 PTGS2 (0.62) PTGS2PTGS1PTGIRPTGDR
SCHEMBL3943725 0.95 PTGS2 (0.64) PTGS2PTGS1PTGIR
SCHEMBL5779766 0.95 PTGS2 (0.64) PTGS2PTGS1PTGIR
SCHEMBL3950144 0.84 PTGS2 (0.52) PTGS2PTGS1PTGIRPTGDR
SCHEMBL3938976 0.83 PTGIR (0.50) PTGS2PTGS1PTGIRPTGDR
SCHEMBL5780346 0.82 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL5778424 0.82 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5781562 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5781556 0.81 PTGS2 (0.52) 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
EP-1005460-B1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LAB (US) 2006-03-08 EP claimed
US-20030105101-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-06-05 US claimed
US-6525053-B1 2-Benzyl-5-(4-methylsulfonylphenyl)-6-(4-fluorophenyl)-3(2H) -pyridazinone; cyclooxygenase (COX) inhibitors pain, fever, inflammation, rheumatoid arthritis, osteoarthritis; minimizes GI and renal side-effects ABBOTT LABORATORIES 2003-02-25 US claimed
EP-1005460-B1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
US-20030105101-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-06-05 US disclosed
US-6525053-B1 2-Benzyl-5-(4-methylsulfonylphenyl)-6-(4-fluorophenyl)-3(2H) -pyridazinone; cyclooxygenase (COX) inhibitors pain, fever, inflammation, rheumatoid arthritis, osteoarthritis; minimizes GI and renal side-effects ABBOTT LABORATORIES 2003-02-25 US 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 (1 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-20030105101-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGES2, PTGS2 PTGS2 3/4885PTGS1 4/4885PTGIR 14/4885

“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.