SCHEMBL6289837

SCHEMBL6289837

CCOc1cc(OCC)cc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.81
PTGS1 P23219 3/20 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
SCHEMBL6289804 0.89 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL15207298 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL15207690 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL6777917 0.83 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6361393 0.82 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6774168 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6777192 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6778052 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6290552 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6293926 0.80 PTGS2 (1.00) 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
US-6838476-B1 Cyclooxygenase inhibitors; anticancer agents J. URIACH & CIA, SA (ES) 2005-01-04 US claimed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP claimed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP claimed
US-6838476-B1 Cyclooxygenase inhibitors; anticancer agents J. URIACH & CIA, SA (ES) 2005-01-04 US disclosed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP disclosed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP disclosed