SCHEMBL29612588

SCHEMBL29612588

Cc1cccc(-n2c(-c3ccc(S(N)(=O)=O)cc3)coc2=O)c1

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 18/20 1.00

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
SCHEMBL2125484 1.00 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6307729 0.89 PTGS2 (0.80) PTGS2PTGS1
SCHEMBL8724654 0.86 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8726216 0.85 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL2126159 0.85 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL677082 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5186811 0.83 PTGS2 (0.97) PTGS2PTGS1
SCHEMBL8070399 0.81 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6300780 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8721601 0.78 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114159421-B Pharmaceutical composition comprising dimethyl fumarate 阿尔米雷尔有限公司 2023-08-25 CN disclosed
CN-114159421-A Pharmaceutical composition comprising dimethyl fumarate 阿尔米雷尔有限公司 2022-03-11 CN disclosed