SCHEMBL31496757

SCHEMBL31496757

CC(C)(C)[S@@+]([O-])Nc1cc2ccccc2cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ GFER P55789 1/20 0.53
▸ NGLY1 Q96IV0 1/20 0.53
▸ PTPN1 P18031 1/20 0.51
▸ ABCC1 P33527 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ AKR1C2 P52895 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ IDO1 P14902 1/20 0.42
▸ GRIK1 P39086 2/20 0.42
▸ MAPK8 P45983 2/20 0.40
▸ MYC P01106 1/20 0.40
▸ CDC25B P30305 2/20 0.39
▸ CTSV O60911 2/20 0.39
▸ CTSL P07711 2/20 0.39

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 0.81 FABP4 (0.45) MAPTKDM4EALDH1A1HPGDAKR1C3
SCHEMBL31496762 0.78 CLCN2 (0.44) GFERALDH1A1HPGDAKR1C3AKR1C2
SCHEMBL31496746 0.78 MEN1 (0.48) MAPTGFERABCC1ALDH1A1AKR1C3
SCHEMBL23877482 0.74 KDM1A (0.51) KDM4EALDH1A1HPGDAKR1C3AKR1C2
SCHEMBL10796972 0.74 MAPT (0.66) MAPTGFERNGLY1PTPN1ABCC1
SCHEMBL5860670 0.71 PTPN1 (0.70) MAPTGFERNGLY1PTPN1ABCC1
SCHEMBL5391933 0.71 MAPT (0.66) MAPTGFERNGLY1PTPN1ABCC1
SCHEMBL5194657 0.71 PTPN1 (0.59) MAPTGFERNGLY1PTPN1ABCC1
SCHEMBL31496758 0.70 PTPN2 (0.49) PTPN1ABCC1KDM4EALDH1A1HPGD
SCHEMBL7534675 0.69 MAPT (1.00) MAPTGFERNGLY1PTPN1ABCC1

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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