SCHEMBL1016042

SCHEMBL1016042

Cc1ncc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1cccc(S(=O)(=O)N(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 17/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1012861 0.91 CFTR (0.49) CFTRKMT2A
SCHEMBL1012035 0.90 CFTR (0.50) CFTR
SCHEMBL12219343 0.88 CFTR (0.53) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL12218130 0.87 CFTR (0.52) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL12217301 0.86 CFTR (0.62) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL12188999 0.86 CFTR (0.47) CFTRMEN1KMT2AALDH1A1
SCHEMBL12189085 0.86 CFTR (0.48) CFTRMEN1KMT2AALDH1A1
SCHEMBL12217916 0.85 CFTR (0.56) CFTRMEN1KMT2AALDH1A1KDM4E
SCHEMBL1012893 0.85 CFTR (0.59) CFTR
SCHEMBL12188883 0.85 CFTR (0.50) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271622-B1 Heteroaryl derivatives as CFTR Modulators VERTEX PHARMA (US) 2017-10-04 EP disclosed
EP-2271622-B1 Heteroaryl derivatives as CFTR Modulators VERTEX PHARMA (US) 2017-10-04 EP disclosed
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 US disclosed
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 US disclosed
US-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2017-04-20 US disclosed
US-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2017-04-20 US disclosed
US-9504683-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-29 US disclosed
US-9504683-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-29 US disclosed
US-20150265612-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2015-09-24 US disclosed
US-20150265612-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2015-09-24 US disclosed
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 US disclosed
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 US disclosed
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 US disclosed
US-8299099-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-30 US disclosed
EP-2271622-A2 HETEROARYL DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2011-01-12 EP disclosed
WO-2009108657-A2 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-03 WO disclosed
WO-2009108657-A2 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-03 WO disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 US disclosed
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2009-09-03 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 (4 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-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 CFTR 1/4885MEN1 4840/4885KMT2A 3802/4885
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators CFTR, ABCB1, ABCD3 CFTR 1/4885MEN1 4840/4885KMT2A 4386/4885
US-20090221597-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 CFTR 1/4885MEN1 4840/4885KMT2A 4386/4885
US-20150265612-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 CFTR 1/4885MEN1 4840/4885KMT2A 3802/4885

“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.