SCHEMBL2841663

SCHEMBL2841663

CCOc1ccc(-c2cc(S(C)(=O)=O)cn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.60
PTGS1 P23219 3/20 0.60
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA12 O43570 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CHRNA7 P36544 4/20 0.52
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46

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
Apricoxib SCHEMBL346028 0.88 CA1 (0.60) PTGS2PTGS1CA1CA2CA12
Apricoxib SCHEMBL3435344 0.88 CA1 (0.60) PTGS2PTGS1CA1CA2CA12
SCHEMBL5308912 0.81 PTGS2 (0.64) PTGS2PTGS1CA1CA2CA12
SCHEMBL17920087 0.81 PTGS2 (0.64) PTGS2PTGS1CA1CA2CA12
SCHEMBL5314130 0.79 CA9 (0.62) PTGS2PTGS1CA1CA2CA12
SCHEMBL2464617 0.77 PTGS2 (0.59) PTGS2PTGS1CA1CA2CA12
SCHEMBL22330601 0.76 CHRNA7 (0.64) PTGS2PTGS1CA1CA2CA12
SCHEMBL4706398 0.76 CA2 (1.00) PTGS2PTGS1CA1CA2CA12
SCHEMBL21675750 0.75 PTGS2 (0.62) PTGS2PTGS1CA1CA2CA12
SCHEMBL21675742 0.75 CHRNA7 (0.58) PTGS2PTGS1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2175722-A2 PATIENT SELECTION AND THERAPEUTIC METHODS USING MARKERS OF PROSTAGLANDIN METABOLISM Tragara Pharmaceuticals, Inc. (US) 2010-04-21 EP claimed
WO-2009009776-A2 PATIENT SELECTION AND THERAPEUTIC METHODS USING MARKERS OF PROSTAGLANDIN METABOLISM TRAGARA PHARMACEUTICALS, INC. (US) 2009-01-15 WO claimed
EP-2224932-A1 CANCER TREATMENT USING COX-2 INHIBITOR AND ANTIMETABOLITE COMBINATIONS Tragara Pharmaceuticals, Inc. (US) 2010-09-08 EP disclosed
WO-2009070547-A1 CANCER TREATMENT USING COX-2 INHIBITOR AND ANTIMETABOLITE COMBINATIONS TRAGARA PHARMACEUTICALS, INC. (US) 2009-06-04 WO disclosed