SCHEMBL23800934

SCHEMBL23800934

CC(C)(CO)c1cc2cc(NC=O)c(F)cc2n1CC(O)CO

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 8/20 0.54
▸ HTR2A P28223 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ SCN5A Q14524 1/20 0.54
▸ MAP2K1 Q02750 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
SCHEMBL23005915 1.00 CFTR (0.54) CFTRHTR2APDE4DSCN5AMAP2K1
SCHEMBL19027867 0.87 CFTR (0.55) CFTRHTR2APDE4DSCN5AMAP2K1
SCHEMBL29592296 0.81 CFTR (0.59) CFTRHTR2APDE4DSCN5A
SCHEMBL19412365 0.81 CFTR (0.59) CFTRHTR2APDE4DSCN5A
SCHEMBL10034147 0.80 CFTR (0.48) CFTRHTR2APDE4DSCN5A
SCHEMBL10066236 0.80 CFTR (0.48) CFTRHTR2APDE4DSCN5A
SCHEMBL14952113 0.78 CFTR (0.47) CFTRHTR2APDE4DSCN5A
SCHEMBL19651573 0.77 CFTR (0.62) CFTRHTR2APDE4DSCN5A
SCHEMBL17793903 0.77 CFTR (0.48) CFTRHTR2APDE4DSCN5A
SCHEMBL19656711 0.76 CFTR (0.54) CFTRHTR2APDE4DSCN5A

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
WO-2023224931-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-11-23 — — WO disclosed
WO-2021176064-A1 SOLID FORMS OF TEZACAFTOR AND PROCESSES FOR THE PREPARATION THEREOF Química Sintética, S.A. (ES) 2021-09-10 — — WO disclosed
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