SCHEMBL2978231

SCHEMBL2978231

Cc1ccc(C(F)(F)F)cc1NC(=O)c1c[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
SCN8A Q9UQD0 3/20 0.52
SCN10A Q9Y5Y9 3/20 0.52
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
PAX8 Q06710 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
BACE1 P56817 2/20 0.48
CFTR P13569 5/20 0.47
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
ALOX12 P18054 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADRB3 P13945 1/20 0.45
TBXA2R P21731 1/20 0.45

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
SCHEMBL2965317 0.87 CFTR (0.61) KMT2AALDH1A1MAPTXBP1OPRM1
SCHEMBL2978615 0.85 ALDH1A1 (0.53) KDM4ESCN8ASCN10AKMT2AALDH1A1
SCHEMBL2971516 0.80 CFTR (0.66) KDM4EKMT2AALDH1A1CFTRHPGD
SCHEMBL2979896 0.78 CFTR (0.48) SCN8ASCN10AKMT2AMAPTXBP1
SCHEMBL2968088 0.78 KDM4E (0.53) KDM4EKMT2AALDH1A1MAPTBACE1
SCHEMBL2979135 0.78 TMPRSS4 (0.53) KDM4ESCN8ASCN10AKMT2AALDH1A1
SCHEMBL2978915 0.78 CFTR (0.74) KMT2AALDH1A1MAPTXBP1OPRM1
SCHEMBL395740 0.77 CFTR (0.76) KDM4EKMT2AALDH1A1CFTRHPGD
SCHEMBL2963441 0.77 CFTR (0.52) KDM4EKMT2AALDH1A1MAPTCFTR
SCHEMBL2968233 0.77 CFTR (0.79) KDM4EKMT2AALDH1A1CFTRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US claimed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 US claimed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US claimed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US claimed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US claimed
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-20 US disclosed
US-8802700-B2 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-12 US disclosed
US-8614327-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-24 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-8354427-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-01-15 US disclosed
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4262/4885SCN8A 1077/4885SCN10A 1270/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4262/4885SCN8A 1077/4885SCN10A 1270/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885SCN8A 1077/4885SCN10A 1270/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4262/4885SCN8A 1077/4885SCN10A 1270/4885

“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.