SCHEMBL27318281

SCHEMBL27318281

CC(F)(F)c1cccc(CN2C(=O)/C(=C/c3ccc(C(=O)O)cc3)SC2=S)c1

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 8/20 0.86
▸ PTPN1 P18031 7/20 0.71
▸ DUSP22 Q9NRW4 1/20 0.65
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ CFTR P13569 1/20 0.58
▸ PTPN12 Q05209 1/20 0.57
▸ PTPN22 Q9Y2R2 1/20 0.57
▸ PTPN2 P17706 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ CASP3 P42574 1/20 0.56
▸ SENP8 Q96LD8 1/20 0.56
▸ SENP7 Q9BQF6 1/20 0.56
▸ SENP6 Q9GZR1 1/20 0.56

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
SCHEMBL22469940 0.92 NLRP3 (1.00) NLRP3PTPN1DUSP22MEN1KMT2A
SCHEMBL23001307 0.92 NLRP3 (1.00) NLRP3PTPN1DUSP22MEN1KMT2A
SCHEMBL29365020 0.92 NLRP3 (1.00) NLRP3PTPN1DUSP22MEN1KMT2A
SCHEMBL22469941 0.92 NLRP3 (1.00) NLRP3PTPN1DUSP22MEN1KMT2A
SCHEMBL28687393 0.85 NLRP3 (1.00) NLRP3PTPN1DUSP22MEN1KMT2A
SCHEMBL28687390 0.85 NLRP3 (1.00) NLRP3PTPN1DUSP22MEN1KMT2A
SCHEMBL25144914 0.82 NLRP3 (1.00) NLRP3PTPN1MEN1KMT2ACFTR
SCHEMBL14220547 0.79 PTPN1 (0.74) NLRP3PTPN1DUSP22MEN1KMT2A
SCHEMBL20339998 0.77 NLRP3 (0.81) NLRP3PTPN1DUSP22MEN1KMT2A
SCHEMBL20340001 0.77 NLRP3 (0.81) NLRP3PTPN1DUSP22MEN1KMT2A

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
WO-2023232752-A1 PREVENTION OR MITIGATION OF T-CELL ENGAGING AGENT-RELATED ADVERSE EFFECTS F. HOFFMANN-LA ROCHE AG (CH) 2023-12-07 — — WO disclosed
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