SCHEMBL5826580

SCHEMBL5826580

CN(c1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1)C1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.64
PTGS1 P23219 10/20 0.61

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
SCHEMBL5826599 0.86 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5826519 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL5826435 0.83 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL5826798 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL4721292 0.72 SDHB (0.81) PTGS2PTGS1
SCHEMBL5785867 0.71 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5675573 0.70 PTGS2 (0.98) PTGS2PTGS1
SCHEMBL4720369 0.69 PTGS1 (1.00) PTGS2PTGS1
SCHEMBL5675609 0.69 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5787914 0.68 PTGS2 (0.57) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084148-B2 Substituted pyrimidines as selective cyclooxygenase-2 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-08-01 US claimed
US-20040102466-A1 Substituted pyrimidines as selective cyclooxygenase-2 inhibitors SMITHKLINE BEECHAM CORPORATION 2004-05-27 US claimed
US-7084148-B2 Substituted pyrimidines as selective cyclooxygenase-2 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2006-08-01 US disclosed
US-20050282845-A1 Substituted pyrimidines as selective cyclooxygenase-2 inhibitors CARTER MALCOLM C 2005-12-22 US disclosed
US-20040102466-A1 Substituted pyrimidines as selective cyclooxygenase-2 inhibitors SMITHKLINE BEECHAM CORPORATION 2004-05-27 US disclosed
EP-1313728-A1 SUBSTITUTED PYRIMIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-05-28 EP disclosed
WO-2002018374-A1 SUBSTITUTED PYRIMIDINES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-03-07 WO 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 (2 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-20050282845-A1 Substituted pyrimidines as selective cyclooxygenase-2 inhibitors PTGES2, PTGES, PTGS2 PTGS2 3/4885PTGS1 5/4885
US-20040102466-A1 Substituted pyrimidines as selective cyclooxygenase-2 inhibitors PTGS1, PTGS2, PTGES2 PTGS2 2/4885PTGS1 1/4885

“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.