SCHEMBL2979146

SCHEMBL2979146

COc1cc(NC(=O)c2c[nH]c3cccc(O)c3c2=O)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 4/20 0.58
P2RX1 P51575 8/20 0.54
P2RX7 Q99572 2/20 0.49
P2RX4 Q99571 1/20 0.49
RXFP1 Q9HBX9 5/20 0.46
NPC1 O15118 1/20 0.44
NR2E1 Q9Y466 1/20 0.44
CFTR P13569 1/20 0.44
KDR P35968 1/20 0.44
PARP1 P09874 1/20 0.44
MAPT P10636 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
SCHEMBL2969007 0.88 P2RX1 (0.53) TMPRSS4P2RX1P2RX7P2RX4RXFP1
SCHEMBL2979912 0.87 CFTR (0.59) TMPRSS4NR2E1CFTR
SCHEMBL2979135 0.82 TMPRSS4 (0.53) TMPRSS4P2RX1NR2E1CFTR
SCHEMBL2979902 0.80 CFTR (0.55) P2RX1RXFP1CFTRKDR
SCHEMBL2976144 0.79 CFTR (0.60) CFTRKDR
SCHEMBL2979896 0.79 CFTR (0.48) TMPRSS4P2RX1RXFP1CFTRMAPT
SCHEMBL2973583 0.77 CFTR (0.46) TMPRSS4P2RX1P2RX7P2RX4RXFP1
SCHEMBL2979484 0.75 CFTR (0.50) CFTR
SCHEMBL394455 0.75 CFTR (0.68) NR2E1CFTR
SCHEMBL2978096 0.75 CFTR (0.75) CFTR

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 TMPRSS4 567/4885P2RX1 271/4885P2RX7 321/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 TMPRSS4 567/4885P2RX1 271/4885P2RX7 321/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TMPRSS4 567/4885P2RX1 271/4885P2RX7 321/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TMPRSS4 567/4885P2RX1 271/4885P2RX7 321/4885

“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.