SCHEMBL31363594

SCHEMBL31363594

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(S(C)(=O)=O)cc1C(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDK1 Q15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ PDK3 Q15120 1/20 0.35
▸ PDK4 Q16654 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ AKR1C3 P42330 2/20 0.32
▸ AKR1C2 P52895 2/20 0.32
▸ PNMT P11086 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ MMP13 P45452 1/20 0.32

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
SCHEMBL31363665 0.82 GPR119 (0.33) GPR119SMN1; SMN2PDK1PDK2PDK3
SCHEMBL23144207 0.81 HRH4 (0.43) GPR119SMN1; SMN2PDK1PDK2PDK3
SCHEMBL29811800 0.81 HRH4 (0.43) GPR119SMN1; SMN2PDK1PDK2PDK3
SCHEMBL23144238 0.79 KCNH2 (0.39) GPR119SMN1; SMN2PDK1PDK2PDK3
SCHEMBL25033220 0.77 GPR119 (0.33) GPR119SMN1; SMN2LMNANR1H2NR1H3
SCHEMBL31270355 0.77 GPR119 (0.33) GPR119SMN1; SMN2LMNANR1H2NR1H3
SCHEMBL31363483 0.74 PDK1 (0.43) GPR119SMN1; SMN2PDK1PDK2PDK3
SCHEMBL23155514 0.72 KDM4E (0.39) GPR119SMN1; SMN2
SCHEMBL31401161 0.69 PKM (0.40) SMN1; SMN2CA1CA2CA9CA4
SCHEMBL24852792 0.67 KEAP1 (0.46) SMN1; SMN2LMNA

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
WO-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 — — WO disclosed
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