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Sugi Predict / Compounds / SCHEMBL22982322

SCHEMBL22982322

SCHEMBL22982322

CC(C)(C)c1ccc(C(=O)NS(=O)(=O)c2cccc(NC(C)(CC[C@@H]3CN(C(=O)O)C(C)(C)C3)c3ccccn3)n2)c(F)n1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 19/20 0.35
▸ KIF18A Q8NI77 1/20 0.32

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
SCHEMBL29862316 0.92 CFTR (0.34) CFTRKIF18A
SCHEMBL23006033 0.92 CFTR (0.34) CFTRKIF18A
SCHEMBL29862110 0.87 CFTR (0.32) CFTRKIF18A
SCHEMBL22982218 0.87 CFTR (0.32) CFTRKIF18A
SCHEMBL22982358 0.84 CFTR (0.33) CFTRKIF18A
SCHEMBL22983091 0.83 CYP19A1 (0.33) —
SCHEMBL22982429 0.82 KIF18A (0.35) CFTRKIF18A
SCHEMBL22983437 0.82 CFTR (0.34) CFTRKIF18A
SCHEMBL22982326 0.81 KIF18A (0.33) CFTRKIF18A
SCHEMBL22982788 0.81 KIF18A (0.33) CFTRKIF18A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 — — EP disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 — — WO disclosed