SCHEMBL24309971

SCHEMBL24309971

Cn1cc(S(=O)(=O)Nc2nc(OCCC(C)(C)O)cc(C3=CCCCC3(C)C)n2)cn1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 1/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ KIF18A Q8NI77 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ ACVR2A P27037 1/20 0.30
▸ TGFBR2 P37173 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ NLRP3 Q96P20 1/20 0.30

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
SCHEMBL24310778 0.83 HTR1A (0.40) PARGPIK3CGPIK3CDPIK3CBKIF18A
SCHEMBL26810493 0.81 PIK3CG (0.34) PARGPIK3CGPIK3CDPIK3CBKIF18A
SCHEMBL24309972 0.80 PIK3CG (0.38) PARGPIK3CGPIK3CDPIK3CBKIF18A
SCHEMBL26811264 0.80 PIK3CG (0.38) PIK3CGPIK3CDPIK3CBHTR1AHTR7
SCHEMBL26810527 0.80 HTR1A (0.35) PARGPIK3CGPIK3CDPIK3CBKIF18A
SCHEMBL26806504 0.79 PIK3CG (0.41) PIK3CGPIK3CDPIK3CBKIF18AHTR1A
SCHEMBL29566657 0.79 PIK3CG (0.41) PIK3CGPIK3CDPIK3CBKIF18AHTR1A
SCHEMBL24309973 0.79 HTR1A (0.34) PARGPIK3CGPIK3CDPIK3CBKIF18A
SCHEMBL26811230 0.79 HTR1A (0.37) PIK3CGPIK3CDPIK3CBKIF18AHTR1A
SCHEMBL26811193 0.78 HTR1A (0.36) PIK3CGPIK3CDPIK3CBHTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076627-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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B PARG 4272/4885PIK3CG 533/4885PIK3CD 368/4885

“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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