SCHEMBL3845837

SCHEMBL3845837

CCOC(=O)c1c(O)c(C2CCCCC2)nn(C2CCCCC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
TSHR P16473 3/20 0.43
MAPK1 P28482 1/20 0.39
OPRM1 P35372 3/20 0.37
OPRK1 P41145 3/20 0.37
OGFRL1 Q5TC84 3/20 0.37
OPRD1 P41143 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RECQL P46063 1/20 0.37
KDM4E B2RXH2 3/20 0.37
PDE7A Q13946 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
CSNK1D P48730 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL3857295 0.82 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1OPRM1OPRK1
SCHEMBL3847541 0.82 ALDH1A1 (0.42) ALDH1A1TSHRMAPK1OPRM1OPRK1
SCHEMBL4575033 0.81 ALDH1A1 (0.36) ALDH1A1TSHROPRM1OPRK1OGFRL1
SCHEMBL3854700 0.77 MAPK1 (0.50) ALDH1A1MAPK1POLBSMN1; SMN2KDM4E
SCHEMBL3853251 0.76 ALDH1A1 (0.42) ALDH1A1TSHRGAAMEN1MAPT
SCHEMBL3849583 0.74 SMN1; SMN2 (0.48) ALDH1A1POLBGAAMEN1MAPT
SCHEMBL27913613 0.74 KDM4E (0.41) ALDH1A1MAPK1OPRM1OPRK1OGFRL1
SCHEMBL3846045 0.74 ALDH1A1 (0.45) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL3848493 0.74 ALDH1A1 (0.43) ALDH1A1MAPK1POLBMEN1KMT2A
SCHEMBL3851522 0.74 LMNA (0.45) ALDH1A1TSHRPOLBMEN1MAPT

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 8 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
CN-101626685-B N-substituted glycine derivatives: hydroxylase inhibitors SMITHKLINE BEECHAM CORP 2013-03-13 CN disclosed
CN-101626685-A The glycine derivative that N-replaces: hydroxylase inhibitors SMITHKLINE BEECHAM CORP 2010-01-13 CN 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 ALDH1A1 564/4885TSHR 3440/4885MAPK1 2489/4885

“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.