SCHEMBL12170348

SCHEMBL12170348

CCc1ccc(-c2cccc(NC(=O)OC(C)(C)C)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.52
CYP17A1 P05093 4/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
EPHB4 P54760 2/20 0.42
TEK Q02763 2/20 0.42
KDR P35968 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
SREBF2 Q12772 1/20 0.39

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
SCHEMBL1721386 0.90 SCN9A (0.52) SCN9ACYP17A1EPHB4TEKKDR
SCHEMBL1721618 0.84 SCN9A (0.47) SCN9ACYP17A1EPHB4TEKKDR
SCHEMBL29575907 0.84 SCN9A (0.47) SCN9ACYP17A1EPHB4TEKKDR
SCHEMBL23582507 0.82 SCN9A (0.52) SCN9ACYP17A1EPHB4TEKKDR
SCHEMBL12170346 0.81 SCN9A (0.48) SCN9ACYP17A1EPHB4TEKKDR
SCHEMBL1721390 0.81 SCN9A (0.54) SCN9AEPHB4TEKKDRADORA3
SCHEMBL31357667 0.81 SCN9A (0.48) SCN9ACYP17A1EPHB4TEKKDR
SCHEMBL31357713 0.81 SCN9A (0.48) SCN9ACYP17A1EPHB4TEKKDR
SCHEMBL23582835 0.81 SCN9A (0.48) SCN9ACYP17A1EPHB4TEKKDR
SCHEMBL1721714 0.80 SCN9A (0.47) SCN9ACYP17A1EPHB4TEKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-20 US disclosed
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-05-26 US disclosed
US-9216969-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-12-22 US disclosed
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-05 US disclosed
US-8741933-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 US disclosed
US-20130245010-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2013-09-19 US disclosed
US-20130245011-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-09-19 US disclosed
US-20130237568-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2013-09-12 US disclosed
US-20130237569-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2013-09-12 US disclosed
US-8461156-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-20 US disclosed
US-8324207-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-04 US disclosed
US-8318733-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-27 US disclosed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US disclosed
US-20110312958-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-22 US disclosed
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 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-20170107205-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885CYP17A1 3352/4885RAB9A 2101/4885
US-20130245010-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 823/4885CYP17A1 3137/4885RAB9A 2011/4885
US-20130237569-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 823/4885CYP17A1 3137/4885RAB9A 2011/4885
US-20160143898-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885CYP17A1 3352/4885RAB9A 2101/4885
US-20120322798-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SCN9A 823/4885CYP17A1 3137/4885RAB9A 2011/4885
US-20150065500-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SCN9A 696/4885CYP17A1 3352/4885RAB9A 2101/4885
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885CYP17A1 3352/4885RAB9A 2101/4885
US-20170107206-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885CYP17A1 3352/4885RAB9A 2101/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SCN9A 696/4885CYP17A1 3352/4885RAB9A 2101/4885
US-20110312958-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885CYP17A1 3352/4885RAB9A 2101/4885
US-20130237568-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 SCN9A 696/4885CYP17A1 3352/4885RAB9A 2101/4885
US-20130245011-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 SCN9A 823/4885CYP17A1 3137/4885RAB9A 2011/4885

“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.