SCHEMBL5203693

SCHEMBL5203693

Cc1nc(-c2cccc(F)c2)n(-c2ccc(S(N)(=O)=O)cn2)n1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.47
PTGS1 P23219 3/20 0.47
CHRNA7 P36544 4/20 0.39
CA4 P22748 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38

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
SCHEMBL6166712 0.87 PTGS2 (0.53) PTGS2PTGS1CHRNA7
SCHEMBL5201810 0.87 PTGS2 (0.46) PTGS2PTGS1CHRNA7CA4CA1
SCHEMBL5202962 0.86 PTGS2 (0.45) PTGS2PTGS1CA4CA1CA2
SCHEMBL5202904 0.86 PTGS2 (0.44) PTGS2PTGS1CA1CA2
SCHEMBL6174360 0.84 CSNK1D (0.39) PTGS2PTGS1CHRNA7CA4CA1
SCHEMBL5203437 0.84 PTGS2 (0.60) PTGS2PTGS1CA4CA1CA2
SCHEMBL5201724 0.81 PTGS2 (0.45) PTGS2PTGS1CA4CA1CA2
SCHEMBL5202537 0.79 CA2 (0.44) PTGS2PTGS1CA4CA1CA2
SCHEMBL5205867 0.79 PTGS2 (0.52) PTGS2PTGS1CHRNA7CA4CA1
SCHEMBL5205063 0.79 PTGS2 (0.53) PTGS2PTGS1CHRNA7CA4CA1

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 2/4885PTGS1 1/4885CHRNA7 4541/4885
US-20050075373-A1 Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor PTGS1, PTGS2, PTGES2 PTGS2 2/4885PTGS1 1/4885CHRNA7 4421/4885

“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.