SCHEMBL16446102

SCHEMBL16446102

CC1(C)Cc2c(sc(NC(=O)c3cc(CCO)[nH]n3)c2C(N)=O)C(C)(C)O1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 20/20 0.78

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
SCHEMBL16445588 0.91 CFTR (0.81) CFTR
SCHEMBL16453430 0.90 CFTR (0.80) CFTR
SCHEMBL16445298 0.89 CFTR (0.78) CFTR
SCHEMBL16445459 0.88 CFTR (1.00) CFTR
SCHEMBL16445444 0.85 CFTR (0.85) CFTR
SCHEMBL16450560 0.84 CFTR (0.79) CFTR
SCHEMBL16445092 0.84 CFTR (0.79) CFTR
SCHEMBL16450574 0.84 CFTR (0.75) CFTR
SCHEMBL16450576 0.84 CFTR (0.78) CFTR
SCHEMBL16445904 0.83 CFTR (0.77) CFTR

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
EP-3030568-B1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2018-09-19 — — EP claimed
EP-3030568-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos NV (BE) 2016-06-15 — — EP claimed
WO-2015018823-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2015-02-12 — — WO claimed
EP-3030568-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS Galapagos NV (BE) 2016-06-15 — — EP disclosed
WO-2015018823-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2015-02-12 — — WO disclosed
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