SCHEMBL31496758

SCHEMBL31496758

CC(C)(C)[S@@+]([O-])Nc1ccsc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ ABCC1 P33527 1/20 0.47
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ LMNA P02545 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ACLY P53396 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.38
▸ PRNP P04156 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL7821857 0.72 PTPN2 (0.62) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL3580345 0.72 PTPN2 (0.61) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL31496755 0.71 FABP4 (0.45) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL27730366 0.71 PTPN2 (0.59) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL3706372 0.70 PTPN2 (0.63) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL31496757 0.70 MAPT (0.53) PTPN1ABCC1KMT2AMEN1KDM4E
SCHEMBL1704250 0.69 PTPN2 (0.68) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL10037239 0.69 ABCC1 (0.57) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL429230 0.69 PTPN2 (0.57) PTPN2PTPN1ABCC1KMT2AMEN1
SCHEMBL23931980 0.69 PTPN2 (0.72) PTPN2PTPN1ABCC1KMT2AMEN1

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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