SCHEMBL12026809

SCHEMBL12026809

O=C(Nc1nnc(Cc2ccccc2Cl)s1)C1(c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 19/20 0.55
▸ GLS O94925 1/20 0.50

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
SCHEMBL10125034 0.85 CFTR (0.57) CFTR
SCHEMBL12026950 0.84 CFTR (0.49) CFTR
SCHEMBL12026796 0.81 GLS (0.54) GLS
SCHEMBL12026814 0.80 CFTR (0.47) CFTR
SCHEMBL1082324 0.80 CFTR (0.49) CFTR
SCHEMBL12026989 0.80 PTPRE (0.71) CFTR
SCHEMBL12026807 0.80 CFTR (0.48) CFTR
SCHEMBL12026983 0.79 CFTR (0.69) CFTR
SCHEMBL4114301 0.79 CFTR (0.50) CFTR
SCHEMBL15826994 0.79 GLS (0.52) CFTRGLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219709-A1 INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-20 — — EP disclosed
EP-1716122-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-04-19 — — EP disclosed
US-9550761-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-01-24 — — US disclosed
US-9550761-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-01-24 — — US disclosed
US-8759335-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 — — US disclosed
US-8759335-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 — — US disclosed
US-20140080825-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 — — US disclosed
US-20140080825-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 — — US disclosed
US-8541453-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 — — US disclosed
US-8541453-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 — — US disclosed
US-20110306637-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — US disclosed
US-20110306637-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — US disclosed
US-7977322-B2 Such as 1-Benzo[1,3]dioxol-5-yl-cyclopropanecarboxylic acid [5-(2-methoxy-pyridin-3-ylmethyl)-thiazol-2-yl]-amide 5-(2-Methoxy-pyridin-3-ylmethyl)-thiazol-2-ylamine; cystic fibrosis transmembrane conductance regulator disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-12 — — US disclosed
US-7977322-B2 Such as 1-Benzo[1,3]dioxol-5-yl-cyclopropanecarboxylic acid [5-(2-methoxy-pyridin-3-ylmethyl)-thiazol-2-yl]-amide 5-(2-Methoxy-pyridin-3-ylmethyl)-thiazol-2-ylamine; cystic fibrosis transmembrane conductance regulator disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-12 — — US disclosed
US-20080176899-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 — — US disclosed
US-20080176899-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 — — 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 (3 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-20110306637-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 CFTR 1/4885GLS 314/4885
US-20140080825-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885GLS 314/4885
US-20080176899-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCC2 CFTR 1/4885GLS 314/4885

“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.

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