SCHEMBL24331966

SCHEMBL24331966

COC(=O)c1cccc(S(=O)(=O)Nc2nc(Cl)c(C)c(-c3c(C)cccc3COC(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 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ HSPE1 P61604 1/20 0.38
▸ TCF4 P15884 2/20 0.37
▸ CTNNB1 P35222 2/20 0.37
▸ ACLY P53396 2/20 0.37
▸ PLAU P00749 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ LOX P28300 1/20 0.35

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
SCHEMBL29515225 1.00 SLC40A1 (0.43) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL24331582 0.92 CASP3 (0.41) ACLYCA1CA2MEN1ALDH1A1
SCHEMBL29515220 0.92 CASP3 (0.41) ACLYCA1CA2MEN1ALDH1A1
SCHEMBL29515326 0.90 SLC40A1 (0.44) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL24331152 0.90 SLC40A1 (0.44) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL24330996 0.89 SLC40A1 (0.48) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL29515366 0.89 SLC40A1 (0.48) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL24330555 0.88 SLC40A1 (0.43) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL29515145 0.88 SLC40A1 (0.43) SLC40A1HSPD1PTPN2PTPN1PTPN5
SCHEMBL29515433 0.87 SLC40A1 (0.45) 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
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 — — US disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
WO-2022076620-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SLC40A1 688/4885HSPD1 1296/4885PTPN2 1854/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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