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SCHEMBL25992154

SCHEMBL25992154

COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OCc1ccc(C)cc1

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 3/20 0.86
▸ PTPN1 P18031 1/20 0.86
▸ MEN1 O00255 1/20 0.79
▸ POLB P06746 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ ADAMTS5 Q9UNA0 1/20 0.76
▸ CASP6 P55212 1/20 0.72
▸ GFER P55789 1/20 0.72

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
SCHEMBL25992293 0.96 MEN1 (0.85) AKR1B1PTPN1MEN1POLBKMT2A
SCHEMBL5216899 0.93 ADAMTS5 (0.89) AKR1B1PTPN1ADAMTS5
SCHEMBL5216898 0.93 ADAMTS5 (0.89) AKR1B1PTPN1ADAMTS5
SCHEMBL6720207 0.93 AKR1B1 (1.00) AKR1B1PTPN1MEN1POLBKMT2A
SCHEMBL29408611 0.93 AKR1B1 (1.00) AKR1B1PTPN1MEN1POLBKMT2A
SCHEMBL19736251 0.93 AKR1B1 (1.00) AKR1B1PTPN1MEN1POLBKMT2A
SCHEMBL29408643 0.92 MEN1 (0.93) AKR1B1PTPN1MEN1POLBKMT2A
SCHEMBL29408632 0.92 AKR1B1 (0.85) AKR1B1PTPN1MEN1POLBKMT2A
SCHEMBL19736252 0.92 AKR1B1 (0.85) AKR1B1PTPN1MEN1POLBKMT2A
SCHEMBL19736249 0.92 MEN1 (0.93) AKR1B1PTPN1MEN1POLBKMT2A

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
EP-3468555-B1 COMPOSITIONS FOR USE IN TREATING BACTERIAL INFECTIONS VERSITECH LTD (HK) 2023-08-09 — — EP disclosed