SCHEMBL327290

SCHEMBL327290

O=c1[nH]cc(OBOc2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 5/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
GAA P10253 2/20 0.45
ATAD2 Q6PL18 1/20 0.45
CYP19A1 P11511 1/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
HTT P42858 1/20 0.45
HBB P68871 1/20 0.45
PMP22 Q01453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL31090687 0.79 DPYD (0.50) DPYDALDH1A1MAPTLMNAGAA
SCHEMBL102177 0.76 ATAD2 (0.52) DPYDALDH1A1MAPTLMNAGAA
SCHEMBL1506328 0.72 DPYD (0.44) DPYDALDH1A1MAPTLMNAGAA
SCHEMBL1061623 0.72 GAA (0.48) DPYDALDH1A1MAPTLMNAGAA
SCHEMBL5075425 0.71 SLC22A6 (0.47) DPYDALDH1A1MAPTLMNAGAA
SCHEMBL1916526 0.71 ATAD2 (0.47) DPYDALDH1A1MAPTLMNAGAA
SCHEMBL6647291 0.71 POLB (0.50) DPYDALDH1A1MAPTLMNAGAA
SCHEMBL17991917 0.69 GAA (0.45) DPYDALDH1A1MAPTLMNAGAA
SCHEMBL1748619 0.68 ALDH1A1 (0.50) DPYDALDH1A1MAPTLMNAGAA
Formaldehyde SCHEMBL28861115 0.68 POLB (0.48) DPYDALDH1A1MAPTLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP disclosed
EP-2590960-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-11 EP disclosed
US-8487103-B2 Quinoline inhibitors of hepatitis C virus polymerase ROCHE PALO ALTO LLC (US) 2013-07-16 US disclosed
EP-2603501-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
EP-2590960-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP disclosed
US-8283360-B2 Bicyclic heterocyclic derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-10-09 US disclosed
EP-2440528-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-04-18 EP disclosed
WO-2012020037-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
WO-2012004212-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed
US-20110319434-A1 Bicyclic Heterocyclic Derivatives and Methods of Use Thereof SCHERING PLOUGH CORPORATION (US) 2011-12-29 US disclosed
US-8063072-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2011-11-22 US disclosed
EP-2379564-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF Schering Corporation (US) 2011-10-26 EP disclosed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
US-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS LI JIM 2011-03-24 US disclosed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US disclosed
WO-2010071819-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-06-24 WO disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
EP-1861095-A1 DERIVATIVES OF IMIDAZO(1,2-A)PYRIDINE USEFUL AS MEDICAMENTS FOR TREATING GASTROINTESTINAL DISEASES GLAXO GROUP LIMITED (GB) 2007-12-05 EP disclosed
WO-2006100119-A1 DERIVATIVES OF IMIDAZO (1,2-A) PYRIDINE USEFUL AS MEDICAMENTS FOR TREATING GASTROINTESTINAL DISEASES GLAXO GROUP LIMITED (GB) 2006-09-28 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 (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-20110070189-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 DPYD 259/4885ALDH1A1 597/4885MAPT 4592/4885
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 DPYD 386/4885ALDH1A1 1266/4885MAPT 4670/4885
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases ALPI, PYGL, PPIP5K2 DPYD 21/4885ALDH1A1 627/4885MAPT 4010/4885
US-20110319434-A1 Bicyclic Heterocyclic Derivatives and Methods of Use Thereof GPR119, GID4, TLR4 DPYD 1035/4885ALDH1A1 1161/4885MAPT 1176/4885

“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.