SCHEMBL31496745

SCHEMBL31496745

CC(C)(C)[S@@+]([O-])Nc1c(F)cccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.39
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ ERCC5 P28715 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ CES2 O00748 2/20 0.35
▸ CES1 P23141 2/20 0.35
▸ BCHE P06276 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.33
▸ CLCN2 P51788 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33

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
SCHEMBL31496755 0.75 FABP4 (0.45) KDM4EALOX15KMT2AGAAALDH1A1
SCHEMBL20303914 0.74 ALB (0.55) ALBKDM4EALOX15PTPN1ERCC5
SCHEMBL29785235 0.74 ALB (0.55) ALBKDM4EALOX15PTPN1ERCC5
SCHEMBL4607513 0.72 ALB (0.49) ALBKDM4EPDK1PDK2PDK3
SCHEMBL28328598 0.71 ALB (0.55) ALBKDM4EALOX15PTPN1ERCC5
SCHEMBL1346055 0.71 ALB (0.44) ALBKDM4EPDK1PDK2PDK3
Hydrochloric Acid SCHEMBL15994569 0.69 ALB (0.53) ALBKDM4EALOX15PTPN1ERCC5
Hydrochloric Acid SCHEMBL28334446 0.69 ALB (0.53) ALBKDM4EALOX15PTPN1ERCC5
SCHEMBL221303 0.69 ALB (0.49) ALBKDM4EALOX15KMT2AGAA
SCHEMBL31046903 0.69 ALB (0.49) ALBKDM4EALOX15KMT2AGAA

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-119661407-A Chiral sulfinamide carboxylic acid compound, and synthetic method and application thereof 浙江大学 2025-03-21 — — CN disclosed
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