SCHEMBL1138296

SCHEMBL1138296

OCCOOB(O)c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.36
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
MGLL Q99685 2/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6460557 0.84 ENPP2 (0.37) ENPP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL1138295 0.83 ENPP2 (0.38) ENPP2IDO1AGXTMGLLHTR2C
SCHEMBL3984743 0.82 ACHE (0.38) ENPP2IDO1AGXTMGLLCES2
SCHEMBL4832669 0.81 CYP2D6 (0.35) ENPP2IDO1AGXTKMT2A
SCHEMBL4940661 0.81 ALDH1A1 (0.50) ENPP2KDM4EALDH1A1
SCHEMBL3999045 0.80 ORAI1 (0.43)
SCHEMBL1138975 0.79 ALDH1A1 (0.42) ENPP2IDO1MGLLKDM4EALDH1A1
SCHEMBL3658498 0.78 IDO1 (0.40) ENPP2IDO1AGXTMGLL
SCHEMBL1138531 0.77 ENPP2 (0.54) ENPP2ALDH1A1
SCHEMBL1138363 0.76

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765358-B1 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS INC (US) 2011-02-23 EP disclosed
US-7888356-B2 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2011-02-15 US disclosed
US-7652000-B2 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
EP-1765360-B1 ANTI-VIRAL USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS INC (US) 2009-11-11 EP disclosed
EP-2044091-A2 COMPOUNDS FOR THE TREATMENT OF PERIODONTAL DISEASE Anacor Pharmaceuticals, Inc. (US) 2009-04-08 EP disclosed
US-20080293675-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTCALS INC. (US) 2008-11-27 US disclosed
EP-1980564-A1 Antibiotics containing borinic acid complexes and methods of use Anacor Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
US-7393856-B2 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. (US) 2008-07-01 US disclosed
US-7390806-B2 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2008-06-24 US disclosed
US-20080146803-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. 2008-06-19 US disclosed
US-20060019927-A1 Anti-viral uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-26 US disclosed
WO-2006007384-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2006-01-19 WO disclosed
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes ANACOR PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20060009422-A1 Boron-containing compounds and methods of use ANACOR PHARMACEUTICALS, INC. 2006-01-12 US disclosed
WO-2005123094-A2 TREATMENT OR PREVENTION OF SKIN CONDITIONS OR TISSUE CONDITIONS IN ANIMALS USING BORYLOXYPYRIDYLMETHANONES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO disclosed
WO-2005123095-A1 ANTI-PARASITIC USES OF BORINIC ACID COMPLEXES ANACOR PHARMACEUTICALS, INC. (US) 2005-12-29 WO disclosed
EP-1581500-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2005-10-05 EP disclosed
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2005-03-31 US disclosed
US-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2004-11-11 US disclosed
WO-2004056322-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2004-07-08 WO 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 (7 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-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA ENPP2 986/4885IDO1 1285/4885AGXT 1096/4885
US-20060014723-A1 Anti-parasitic uses of borinic acid complexes BPGM, HRH1, HRH3 ENPP2 67/4885IDO1 1471/4885AGXT 1902/4885
US-20060009422-A1 Boron-containing compounds and methods of use BROX, BTD, PBDC1 ENPP2 1788/4885IDO1 2169/4885AGXT 1416/4885
US-20080146803-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE BPGM, BROX, TBCA ENPP2 986/4885IDO1 1285/4885AGXT 1096/4885
US-20050070503-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA ENPP2 986/4885IDO1 1285/4885AGXT 1096/4885
US-20060019927-A1 Anti-viral uses of borinic acid complexes SSB, BPGM, HAVCR2 ENPP2 420/4885IDO1 1452/4885AGXT 1781/4885
US-20080293675-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE BPGM, BROX, TBCA ENPP2 986/4885IDO1 1285/4885AGXT 1096/4885

“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.