SCHEMBL29515127

SCHEMBL29515127

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 1/20 0.43
▸ HSPD1 P10809 1/20 0.40
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ HSPE1 P61604 1/20 0.40
▸ TCF4 P15884 2/20 0.39
▸ CTNNB1 P35222 2/20 0.39
▸ ACLY P53396 2/20 0.39
▸ PLAU P00749 2/20 0.39
▸ NR1H4 Q96RI1 1/20 0.38
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ LOX P28300 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL24330524 1.00 SLC40A1 (0.43) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL24330996 0.92 SLC40A1 (0.48) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL29515366 0.92 SLC40A1 (0.48) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL29515436 0.91 KDM4E (0.43) PTPN1ACLYCA1CA2MEN1
SCHEMBL24330481 0.91 KDM4E (0.43) PTPN1ACLYCA1CA2MEN1
SCHEMBL24331088 0.88 SLC40A1 (0.44) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL29515298 0.88 SLC40A1 (0.44) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL29515326 0.88 SLC40A1 (0.44) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL24331152 0.88 SLC40A1 (0.44) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL30588599 0.88 SLC40A1 (0.42) SLC40A1HSPD1PTPN2PTPN1PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2022076620-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
Send feedback