SCHEMBL29515366

SCHEMBL29515366

COC(=O)c1cccc(S(=O)(=O)Nc2nc(Cl)c(C)c(-c3c(C)cccc3C)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 1/20 0.48
▸ TCF4 P15884 2/20 0.44
▸ CTNNB1 P35222 2/20 0.44
▸ HSPD1 P10809 1/20 0.43
▸ PTPN2 P17706 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ PTPN5 P54829 1/20 0.43
▸ HSPE1 P61604 1/20 0.43
▸ ACLY P53396 2/20 0.43
▸ PLAU P00749 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LOX P28300 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ PLAT P00750 1/20 0.40

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
SCHEMBL24330996 1.00 SLC40A1 (0.48) SLC40A1TCF4CTNNB1HSPD1PTPN2
SCHEMBL24330524 0.92 SLC40A1 (0.43) SLC40A1TCF4CTNNB1HSPD1PTPN2
SCHEMBL29515127 0.92 SLC40A1 (0.43) SLC40A1TCF4CTNNB1HSPD1PTPN2
SCHEMBL29515433 0.91 SLC40A1 (0.45) SLC40A1TCF4CTNNB1HSPD1PTPN2
SCHEMBL26869676 0.91 SLC40A1 (0.45) SLC40A1TCF4CTNNB1HSPD1PTPN2
SCHEMBL24331152 0.90 SLC40A1 (0.44) SLC40A1TCF4CTNNB1HSPD1PTPN2
SCHEMBL24331194 0.90 SLC40A1 (0.42) SLC40A1TCF4CTNNB1HSPD1PTPN2
SCHEMBL30588599 0.90 SLC40A1 (0.42) SLC40A1TCF4CTNNB1HSPD1PTPN2
SCHEMBL29515326 0.90 SLC40A1 (0.44) SLC40A1TCF4CTNNB1HSPD1PTPN2
SCHEMBL26126784 0.90 SLC40A1 (0.42) SLC40A1TCF4CTNNB1HSPD1PTPN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025076235-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-10 — — WO disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 — — EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
EP-4225761-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
EP-4225762-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076618-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076620-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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