SCHEMBL234080

SCHEMBL234080

CCC(C(=O)Nc1ncc(C(=O)c2ccccc2Cl)s1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 13/20 0.58
MAPK12 P53778 13/20 0.58
MAPK11 Q15759 13/20 0.58
MAPK14 Q16539 13/20 0.58
KCNQ2 O43526 1/20 0.54
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL2016410 0.82 HDAC1 (0.61) POLBMAPT
SCHEMBL12395905 0.81 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14KCNQ2
SCHEMBL2753340 0.79 CFTR (0.77) KCNQ2POLBMAPT
SCHEMBL2754066 0.79 CFTR (0.77) KCNQ2POLBMAPT
SCHEMBL2754069 0.79 CFTR (0.77) KCNQ2POLBMAPT
SCHEMBL233519 0.79 KCNQ2 (0.54) KCNQ2POLBMAPT
SCHEMBL6173591 0.76 CDK2 (0.61) POLBMAPT
SCHEMBL2020130 0.76 HDAC1 (0.54) KCNQ2POLBMAPT
SCHEMBL19360687 0.75 MAPK13 (0.65) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL2753342 0.74 MEN1 (0.69) KCNQ2POLBMAPT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 US disclosed
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 US disclosed
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-08-11 US disclosed
US-9249131-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-02 US disclosed
US-9249131-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-02 US disclosed
US-9249131-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-02 US disclosed
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-22 US disclosed
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-22 US disclosed
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-01-22 US disclosed
US-8853415-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-8431605-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-04-30 US disclosed
US-8431605-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-04-30 US disclosed
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-05 US disclosed
US-7973169-B2 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 US disclosed
US-7973169-B2 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), such as N-(4,5-Diphenyl-thiazol-2-yl)-benzamide, used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-05 US disclosed
EP-1664006-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP disclosed
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-08-11 US disclosed
WO-2005026137-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-24 WO 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-20050176789-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCF1 MAPK13 4294/4885MAPK12 3674/4885MAPK11 4239/4885
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 MAPK13 4294/4885MAPK12 3674/4885MAPK11 4239/4885
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 MAPK13 4294/4885MAPK12 3674/4885MAPK11 4239/4885
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 MAPK13 4268/4885MAPK12 3636/4885MAPK11 4198/4885

“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.