SCHEMBL396941

SCHEMBL396941

O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
LMNA P02545 3/20 0.67
PKM P14618 2/20 0.67
CFTR P13569 5/20 0.62
ATM Q13315 1/20 0.59
MAOB P27338 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
ALDH1A1 P00352 5/20 0.57
HTT P42858 1/20 0.57
GABRA1 P14867 1/20 0.57
GABRB1 P18505 1/20 0.57
GABRA5 P31644 1/20 0.57
GABRA3 P34903 1/20 0.57
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57
GABRA4 P48169 1/20 0.57
GABRA6 Q16445 1/20 0.57

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
SCHEMBL399452 0.99 KMT2A (0.68) KMT2AMEN1LMNAPKMCFTR
SCHEMBL395272 0.91 MAPT (0.59) KMT2AMEN1LMNAPKMCFTR
SCHEMBL395636 0.84 CFTR (0.71) KMT2AMEN1CFTRMAOBGABRA1
SCHEMBL399239 0.81 CFTR (0.60) KMT2AMEN1CFTRMAOBGAA
SCHEMBL399210 0.78 CFTR (0.76) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL396437 0.78 CFTR (0.68) KMT2AMEN1CFTRMAOBGABRA1
SCHEMBL398391 0.77 CFTR (1.00) KMT2AMEN1CFTRMAOBGABRA1
SCHEMBL394889 0.77 CFTR (1.00) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL21008399 0.77 CFTR (0.74) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL396598 0.77 CFTR (0.74) CFTRMAOBGABRA1GABRB1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP claimed
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-03 US claimed
US-20130331567-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-12 US claimed
EP-2502911-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP claimed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US claimed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 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 (12 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885LMNA 2816/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885LMNA 2816/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885LMNA 2816/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 KMT2A 4359/4885MEN1 3122/4885LMNA 2078/4885
US-20140187770-A9 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885LMNA 2816/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885LMNA 2816/4885
US-20130331567-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885LMNA 2816/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885LMNA 2816/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4245/4885MEN1 4698/4885LMNA 2816/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 KMT2A 4546/4885MEN1 4778/4885LMNA 3399/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 KMT2A 4510/4885MEN1 4791/4885LMNA 3499/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KMT2A 4241/4885MEN1 4705/4885LMNA 3535/4885

“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.