SCHEMBL29515216

SCHEMBL29515216

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 1/20 0.47
▸ ACLY P53396 2/20 0.44
▸ TCF4 P15884 2/20 0.43
▸ CTNNB1 P35222 2/20 0.43
▸ HSPD1 P10809 1/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN5 P54829 1/20 0.42
▸ HSPE1 P61604 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PLAU P00749 2/20 0.41
▸ PLAT P00750 1/20 0.41
▸ CYP2C9 P11712 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LOX P28300 1/20 0.39
▸ CA12 O43570 1/20 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
SCHEMBL25359894 1.00 SLC40A1 (0.47) SLC40A1ACLYTCF4CTNNB1HSPD1
SCHEMBL24332218 0.92 TSHR (0.46) ACLYALDH1A1MEN1KMT2ACA1
SCHEMBL29515246 0.92 TSHR (0.46) ACLYALDH1A1MEN1KMT2ACA1
SCHEMBL29515336 0.91 SLC40A1 (0.44) SLC40A1ACLYTCF4CTNNB1HSPD1
SCHEMBL29515366 0.90 SLC40A1 (0.48) SLC40A1ACLYTCF4CTNNB1HSPD1
SCHEMBL24330996 0.90 SLC40A1 (0.48) SLC40A1ACLYTCF4CTNNB1HSPD1
SCHEMBL24331458 0.88 SLC40A1 (0.47) SLC40A1ACLYTCF4CTNNB1HSPD1
SCHEMBL24330985 0.88 SLC40A1 (0.49) SLC40A1ACLYTCF4CTNNB1HSPD1
SCHEMBL29515423 0.88 SLC40A1 (0.49) SLC40A1ACLYTCF4CTNNB1HSPD1
SCHEMBL29515546 0.88 SLC40A1 (0.47) SLC40A1ACLYTCF4CTNNB1HSPD1

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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