SCHEMBL8188201

SCHEMBL8188201

CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2(CN)CC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.60
PTGS1 P23219 10/20 0.49

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
SCHEMBL6991511 0.83 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL8077136 0.82 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6990094 0.81 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6331760 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL213125 0.75 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL7839456 0.75 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL8080224 0.73 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8080218 0.73 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL6989030 0.73 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8182646 0.72 PTGS2 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6066667-A COMPOUNDS OF GENERAL FORMULA 3,4-DI(SUBSTITUTED PHENYL),5-AMINOALKYL,5-CARBOXYALKYL-FURAN-2-ONE; ADMINISTERING TO TREAT PAIN, ARTHRITIS ASHBROOK CHARLES D (US) 2000-05-23 US claimed
US-6066667-A COMPOUNDS OF GENERAL FORMULA 3,4-DI(SUBSTITUTED PHENYL),5-AMINOALKYL,5-CARBOXYALKYL-FURAN-2-ONE; ADMINISTERING TO TREAT PAIN, ARTHRITIS ASHBROOK CHARLES D (US) 2000-05-23 US disclosed