SCHEMBL2969007

SCHEMBL2969007

O=C(Nc1cc(O)cc(C(F)(F)F)c1)c1c[nH]c2cccc(O)c2c1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 13/20 0.53
P2RX7 Q99572 5/20 0.53
P2RX4 Q99571 4/20 0.53
TMPRSS4 Q9NRS4 7/20 0.46
KDR P35968 2/20 0.46
NR2E1 Q9Y466 1/20 0.45
MEN1 O00255 1/20 0.45
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
FLT3 P36888 1/20 0.45
KMT2A Q03164 1/20 0.45
MYLK Q15746 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
CFTR P13569 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL2979146 0.88 TMPRSS4 (0.58) P2RX1P2RX7P2RX4TMPRSS4KDR
SCHEMBL2979515 0.86 CFTR (0.62) NR2E1CFTR
SCHEMBL2976144 0.83 CFTR (0.60) KDRCFTR
SCHEMBL2979902 0.81 CFTR (0.55) P2RX1KDRCFTRRXFP1
SCHEMBL2979484 0.81 CFTR (0.50) CFTR
SCHEMBL2973583 0.80 CFTR (0.46) P2RX1P2RX7P2RX4TMPRSS4KDR
SCHEMBL2979896 0.80 CFTR (0.48) P2RX1TMPRSS4KMT2ACFTRRXFP1
SCHEMBL2968088 0.80 KDM4E (0.53) P2RX1P2RX7P2RX4TMPRSS4NR2E1
SCHEMBL394455 0.78 CFTR (0.68) NR2E1CFTR
SCHEMBL20704886 0.76 CFTR (0.44) 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 13 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
EP-2509954-A1 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2012-10-17 EP 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 P2RX1 271/4885P2RX7 321/4885P2RX4 386/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 P2RX1 271/4885P2RX7 321/4885P2RX4 386/4885
US-20140343098-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 P2RX1 271/4885P2RX7 321/4885P2RX4 386/4885
US-20120309758-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 P2RX1 271/4885P2RX7 321/4885P2RX4 386/4885

“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.