SCHEMBL16448393

SCHEMBL16448393

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

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 20/20 0.51

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
SCHEMBL16446517 0.87 CFTR (0.53) CFTR
SCHEMBL16446418 0.83 CFTR (0.51) CFTR
SCHEMBL16450537 0.80 CFTR (0.71) CFTR
SCHEMBL16446773 0.79 CFTR (0.53) CFTR
SCHEMBL21248056 0.73 CFTR (0.59) CFTR
SCHEMBL25798608 0.71 CFTR (0.58) CFTR
SCHEMBL16450584 0.67 CFTR (0.75) CFTR
SCHEMBL16445644 0.67 CFTR (1.00) CFTR
SCHEMBL16445829 0.66 CFTR (0.70) CFTR
SCHEMBL16445884 0.66 CFTR (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback