SCHEMBL6658868

SCHEMBL6658868

CC(C)(O)COc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 1.00
PTGS1 P23219 7/20 0.66

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
SCHEMBL6658573 0.90 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6659313 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6659468 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6658864 0.89 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL6658250 0.88 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL6658870 0.88 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL6657716 0.87 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL6662773 0.84 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL6660822 0.84 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL6659730 0.83 PTGS2 (0.73) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012142-B1 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2004-08-11 EP claimed
EP-1012142-A1 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 Merck Frosst Canada & Co. (CA) 2000-06-28 EP claimed
US-6046217-A TREATING AN INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT COMPRISING ADMINISTERING TO A PATIENT IN NEED OF SUCH TREATMENT A NONTOXIC 3-PHENYL SUBSTITUTED PYRIDINES MERCK FROSST CANADA & CO. (CA) 2000-04-04 US claimed
WO-1999014194-A1 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 1999-03-25 WO claimed
EP-1012142-B1 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2004-08-11 EP disclosed
EP-1012142-A1 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 Merck Frosst Canada & Co. (CA) 2000-06-28 EP disclosed
US-6046217-A TREATING AN INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT COMPRISING ADMINISTERING TO A PATIENT IN NEED OF SUCH TREATMENT A NONTOXIC 3-PHENYL SUBSTITUTED PYRIDINES MERCK FROSST CANADA & CO. (CA) 2000-04-04 US disclosed
WO-1999014194-A1 2,3,5-TRISUBSTITUTED PYRIDINES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 1999-03-25 WO disclosed