SCHEMBL2812355

SCHEMBL2812355

Cc1nsc2[nH]cc(C(=O)Nc3ccc(C(F)(F)F)c(O)c3)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.51
PIM3 Q86V86 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
CFTR P13569 12/20 0.48
TMPRSS4 Q9NRS4 4/20 0.40
SCN8A Q9UQD0 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36

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
SCHEMBL2815486 0.86 CFTR (0.52) CSNK2A1PIM3CLK4CFTR
SCHEMBL2812894 0.79 CFTR (0.63) CSNK2A1PIM3CLK4CFTR
SCHEMBL13133094 0.79 CSNK2A1 (0.66) CSNK2A1PIM3CLK4CFTR
SCHEMBL2814003 0.78 CFTR (0.57) CSNK2A1PIM3CLK4CFTR
SCHEMBL2813012 0.77 CFTR (0.52) CSNK2A1PIM3CLK4CFTR
SCHEMBL2814822 0.77 CSNK2A1 (0.44) CSNK2A1PIM3CLK4CFTR
SCHEMBL2976144 0.76 CFTR (0.60) CFTR
SCHEMBL13168988 0.74 CSNK2A1 (0.46) CSNK2A1PIM3CLK4CFTR
SCHEMBL2817440 0.74 CSNK2A1 (0.44) CSNK2A1PIM3CLK4CFTR
SCHEMBL13133106 0.73 CSNK2A1 (0.61) CSNK2A1PIM3CLK4CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399648-B2 Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-26 US claimed
EP-2187884-B1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMA (US) 2016-03-30 EP claimed
US-8802844-B2 Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US claimed
US-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-30 US claimed
US-9399648-B2 Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-26 US disclosed
US-9399648-B2 Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-26 US disclosed
US-20150031720-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-29 US disclosed
US-20150031720-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-29 US disclosed
US-8802844-B2 Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8802844-B2 Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-30 US disclosed
US-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-30 US 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 (2 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-20100249180-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS CFTR, ABCB1, ABCC8 CSNK2A1 3268/4885PIM3 1965/4885CLK4 2325/4885
US-20150031720-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS CFTR, ABCB1, ABCC8 CSNK2A1 3268/4885PIM3 1965/4885CLK4 2325/4885

“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.