SCHEMBL5205867

SCHEMBL5205867

Cc1nc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cn2)n1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.52
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
PTGS1 P23219 8/20 0.43
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
CHRNA7 P36544 1/20 0.41

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
SCHEMBL5201724 0.90 PTGS2 (0.45) PTGS2CA1CA2CA9CA12
SCHEMBL5202962 0.88 PTGS2 (0.45) PTGS2CA1CA2CA9CA12
SCHEMBL5202537 0.88 CA2 (0.44) PTGS2CA1CA2CA9CA12
SCHEMBL5202904 0.88 PTGS2 (0.44) PTGS2CA1CA2CA9CA12
SCHEMBL5201810 0.86 PTGS2 (0.46) PTGS2CA1CA2PTGS1CA4
SCHEMBL5202016 0.86 PTGS2 (0.47) PTGS2CA1CA2CA9CA12
SCHEMBL5239915 0.85 PTGS2 (0.50) PTGS2CA1CA2CA9CA12
SCHEMBL5205238 0.82 PTGS2 (0.73) PTGS2CA1CA2CA9PTGS1
SCHEMBL5202108 0.80 PTGS2 (0.41) PTGS2CA1CA2CA9PTGS1
SCHEMBL5203693 0.79 PTGS2 (0.47) PTGS2CA1CA2PTGS1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458706-B1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2007-07-11 EP claimed
CN-1290842-C Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP (KR) 2006-12-20 CN claimed
US-7135572-B2 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP (KR) 2006-11-14 US claimed
US-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2006-01-12 US claimed
EP-1458706-A4 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2005-06-08 EP claimed
CN-1608060-A Diaryl 1,2, 4-triazole derivatives as highly selective cyclooxygenase-2 inhibitors CJ CORP (KR) 2005-04-20 CN claimed
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2005-04-07 US claimed
EP-1458706-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ Corp. (KR) 2004-09-22 EP claimed
WO-2003055875-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP. (KR) 2003-07-10 WO claimed
EP-1458706-B1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2007-07-11 EP disclosed
US-7169929-B2 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2007-01-30 US disclosed
CN-1290842-C Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP (KR) 2006-12-20 CN disclosed
US-7135572-B2 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP (KR) 2006-11-14 US disclosed
US-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2006-01-12 US disclosed
EP-1458706-A4 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP (KR) 2005-06-08 EP disclosed
CN-1608060-A Diaryl 1,2, 4-triazole derivatives as highly selective cyclooxygenase-2 inhibitors CJ CORP (KR) 2005-04-20 CN disclosed
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor CJ CORP. (KR) 2005-04-07 US disclosed
EP-1458706-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ Corp. (KR) 2004-09-22 EP disclosed
WO-2003055875-A1 DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR CJ CORP. (KR) 2003-07-10 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-20060009495-A1 Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 PTGS2 2/4885CA1 1415/4885CA2 605/4885
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 PTGS2 2/4885CA1 1611/4885CA2 519/4885

“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.