SCHEMBL28856528

SCHEMBL28856528

CC(C)(Sc1ccc(-c2ccc(C#N)c3ccccc23)s1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 19/20 0.57
▸ SLC22A6 Q4U2R8 2/20 0.56
▸ SLC22A11 Q9NSA0 1/20 0.56
▸ PPARA Q07869 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL28856524 0.85 SLC22A12 (0.44) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL28856538 0.83 SLC22A12 (0.53) SLC22A12SLC22A6SLC22A11PPARA
SCHEMBL28856513 0.81 SLC22A12 (0.54) SLC22A12SLC22A6SLC22A11PPARA
SCHEMBL28856492 0.81 PPARA (0.48) SLC22A12SLC22A6SLC22A11PPARA
SCHEMBL28856548 0.80 PPARA (0.47) SLC22A12SLC22A6SLC22A11PPARA
SCHEMBL28856558 0.78 SLC22A12 (0.49) SLC22A12SLC22A6SLC22A11PPARA
SCHEMBL28856531 0.76 SLC22A12 (0.58) SLC22A12SLC22A6SLC22A11PPARA
SCHEMBL17899890 0.73 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL9987800 0.73 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL28856517 0.73 SLC22A12 (0.43) SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109608432-B Thiophene derivatives as URAT1 inhibitors 江苏艾立康医药科技有限公司 2022-10-11 — — CN disclosed
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