SCHEMBL3847809

SCHEMBL3847809

CCOC(=O)CC(=O)N/N=C(/C(=O)OCC)c1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
MAPK1 P28482 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.42
PARP1 P09874 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL3847811 1.00 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1TAS1R3TAS1R1NPC1
SCHEMBL3846064 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3846060 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3849710 0.84 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL3849713 0.84 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL30047147 0.81 GAA (0.62) SMN1; SMN2MAPK1ALDH1A1MAPTKMT2A
SCHEMBL17601927 0.81 GAA (0.62) SMN1; SMN2MAPK1ALDH1A1MAPTKMT2A
SCHEMBL16179123 0.81 GAA (0.62) SMN1; SMN2MAPK1ALDH1A1MAPTKMT2A
SCHEMBL382162 0.77 ALDH1A1 (0.56) SMN1; SMN2MAPK1TAS1R3TAS1R1NPC1
SCHEMBL3854748 0.77 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2889289-A1 Pyridazine-dione N-substituted glycine derivatives as HIF hydroxylase inhibitors GlaxoSmithKline LLC (US) 2015-07-01 EP disclosed
US-RE44613-E1 N-substituted glycine derivatives: hydroxylase inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-26 US disclosed
EP-2124565-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
US-7608621-B2 Such as n-{[2-[(4-bromo-2-fluorophenyl)methyl]-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinyl]carbonyl}glycine; anemia; increasing erythropoietin production SMITHKLINE BEECHAM, CORP. (US) 2009-10-27 US disclosed
US-20080214549-A1 N-Substituted Glycine Derivatives: Hydroxylase Inhibitors GLAXOSMITHKLINE LLC 2008-09-04 US disclosed
WO-2008089052-A2 N-SUBSTITUTED GLYCINE DERIVATIVES: HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 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 (1 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-20080214549-A1 N-Substituted Glycine Derivatives: Hydroxylase Inhibitors EGLN2, EGLN3, HIF1AN SMN1; SMN2 3490/4885MAPK1 2489/4885TAS1R3 4337/4885

“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.