SCHEMBL15901855

SCHEMBL15901855

NC(=O)c1cc(OC(F)(F)F)ccc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.58
SCN8A Q9UQD0 4/20 0.57
SCN10A Q9Y5Y9 4/20 0.57
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
MAPK14 Q16539 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PARP10 Q53GL7 2/20 0.45
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
IGF2BP2 Q9Y6M1 1/20 0.43
BRD4 O60885 2/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL4155251 0.84 CTNNB1 (0.68) CTNNB1SCN8ASCN10ASLC6A2SLC6A4
SCHEMBL19858889 0.82 SCN8A (0.57) SCN8ASCN10ASLC6A2SLC6A4MAPK8
SCHEMBL5114309 0.81 ALPL (0.49) SCN8ASCN10ASLC6A2SLC6A4SMN1; SMN2
SCHEMBL32667941 0.81 KDM4E (0.66) CTNNB1SIRT2SIRT1PARP10KDM4E
SCHEMBL27549107 0.79 CTNNB1 (0.70) CTNNB1SCN8ASCN10ASLC6A4SIRT2
Benzoic Acid SCHEMBL29186974 0.78 FAAH (0.46) CTNNB1SLC6A2SLC6A4MAPK8MAPK10
SCHEMBL6518415 0.78 CHEK1 (0.49) SLC6A2SLC6A4MAPK8MAPK10CCNC
SCHEMBL9138435 0.76 CTNNB1 (0.51) CTNNB1SCN8ASCN10ASLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL5478809 0.76 CTNNB1 (0.81) CTNNB1SIRT2SIRT1SMN1; SMN2PARP10
SCHEMBL12505440 0.76 CTNNB1 (0.65) CTNNB1SIRT2SIRT1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738009-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-08-11 US disclosed
US-20190248745-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2019-08-15 US disclosed
US-10087143-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-10-02 US disclosed
US-20180016235-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2018-01-18 US disclosed
US-9758483-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-12 US disclosed
US-20170037009-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2017-02-09 US disclosed
EP-2953931-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2015-12-16 EP disclosed
US-9051270-B2 Pyridone amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US disclosed
WO-2014120808-A9 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PARMACEUTICALS INCORPORATED (US) 2015-05-14 WO disclosed
WO-2014120808-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PARMACEUTICALS INCORPORATED (US) 2014-08-07 WO disclosed
US-20140213616-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-31 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 (6 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-20180016235-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 CTNNB1 3878/4885SCN8A 77/4885SCN10A 12/4885
US-20140213616-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 CTNNB1 3878/4885SCN8A 77/4885SCN10A 12/4885
US-10738009-B2 Pyridone amides as modulators of sodium channels SCN5A, SCN1A, KCNJ2 CTNNB1 3878/4885SCN8A 77/4885SCN10A 12/4885
US-20170037009-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 CTNNB1 3878/4885SCN8A 77/4885SCN10A 12/4885
US-10087143-B2 Pyridone amides as modulators of sodium channels SCN5A, SCN1A, KCNJ2 CTNNB1 3878/4885SCN8A 77/4885SCN10A 12/4885
US-20190248745-A1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS SCN5A, SCN1A, KCNJ2 CTNNB1 3878/4885SCN8A 77/4885SCN10A 12/4885

“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.