SCHEMBL28612850

SCHEMBL28612850

CCS(=O)(=O)c1ccc(C2(N[S+]([O-])C(C)(C)C)COC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
PSIP1 O75475 2/20 0.33
RORC P51449 9/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
WDR91 A4D1P6 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
KCNH2 Q12809 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL2173845 0.79
SCHEMBL1534753 0.79 TAAR1 (0.32)
SCHEMBL16569186 0.79
SCHEMBL19183292 0.79 SLC6A4 (0.30)
SCHEMBL9919833 0.79 OPRM1 (0.35) KCNH2
SCHEMBL25365005 0.74 MMP13 (0.34) MAPTMEN1KMT2A
SCHEMBL29523581 0.74 MMP13 (0.34) MAPTMEN1KMT2A
SCHEMBL1534614 0.73 CA1 (0.38)
SCHEMBL25355763 0.73 LMNA (0.33) MAPT
SCHEMBL19500539 0.71 HDAC6 (0.36)

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-113072546-B Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业股份有限公司 2025-05-30 CN disclosed
CN-113072546-A Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed