SCHEMBL233519

SCHEMBL233519

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.54
POLB P06746 4/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CFTR P13569 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
FFAR2 O15552 1/20 0.46

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
SCHEMBL6173591 0.83 CDK2 (0.61) POLBMAPTMEN1KMT2AGAA
SCHEMBL21384102 0.81 CCNE1 (0.48) POLBMAPTCFTRGAAALDH1A1
SCHEMBL2754069 0.79 CFTR (0.77) KCNQ2POLBMAPTMEN1KMT2A
SCHEMBL2753340 0.79 CFTR (0.77) KCNQ2POLBMAPTMEN1KMT2A
SCHEMBL234080 0.79 MAPK13 (0.58) KCNQ2POLBMAPT
SCHEMBL2754066 0.79 CFTR (0.77) KCNQ2POLBMAPTMEN1KMT2A
SCHEMBL2016410 0.75 HDAC1 (0.61) POLBMAPTMEN1KMT2AGAA
SCHEMBL21394900 0.75 CCNE1 (0.47) POLBALDH1A1KDM4EHSD17B10HTT
SCHEMBL29356948 0.75 CCNE1 (0.47) POLBALDH1A1KDM4EHSD17B10HTT
SCHEMBL18014937 0.74 MEN1 (0.69) KCNQ2POLBMAPTMEN1KMT2A

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 29 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
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
CN-1898221-A Modulators of atp-binding cassette transporters VERTEX PHARMA (US) 2007-01-17 CN disclosed
US-20050176789-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2005-08-11 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-20050176789-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCF1 KCNQ2 1101/4885POLB 1440/4885MAPT 4106/4885
US-20160228414-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 KCNQ2 1101/4885POLB 1440/4885MAPT 4106/4885
US-20120004216-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 KCNQ2 1101/4885POLB 1440/4885MAPT 4106/4885
US-20150025076-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCF1 KCNQ2 1141/4885POLB 1494/4885MAPT 4100/4885

“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.