SCHEMBL6289836

SCHEMBL6289836

COc1cc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)ccc1C

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 5/20 0.75

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
SCHEMBL6778788 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6774269 0.88 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6290553 0.86 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6291074 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6293849 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6293926 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6777192 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6291225 0.81 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL6290617 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6291057 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 5 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
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