Sugi Predict

Sugi Predict / Compounds / SCHEMBL3847541

SCHEMBL3847541

SCHEMBL3847541

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ TSHR P16473 2/20 0.42
▸ RECQL P46063 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ PDE7A Q13946 2/20 0.38
▸ 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
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 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
▸ LMNA P02545 3/20 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 0.84 ALDH1A1 (0.42) ALDH1A1TSHRRECQLKDM4EMAPK1
SCHEMBL3845837 0.82 ALDH1A1 (0.43) ALDH1A1TSHRRECQLKDM4EMAPK1
SCHEMBL6070905 0.72 PDE4D (0.47) ALDH1A1TSHRRECQLMAPK1PDE7A
SCHEMBL20551562 0.70 MAPK1 (0.47) ALDH1A1TSHRKDM4EMAPK1PDE7A
SCHEMBL19335453 0.69 ALDH1A1 (0.71) ALDH1A1RECQLKDM4EOPRM1OPRK1
SCHEMBL5332461 0.69 ALDH1A1 (0.71) ALDH1A1RECQLKDM4EOPRM1OPRK1
SCHEMBL4505334 0.69 ALDH1A1 (0.42) ALDH1A1TSHRRECQLMAPK1PDE7A
SCHEMBL4519120 0.69 MAPK1 (0.48) ALDH1A1TSHRKDM4EMAPK1PDE7A
SCHEMBL3854568 0.68 ALDH1A1 (0.48) ALDH1A1RECQLKDM4EMAPK1MEN1
SCHEMBL3852981 0.68 KDM4E (0.48) ALDH1A1TSHRRECQLKDM4EMAPK1

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 7 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
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 3440/4885RECQL 2591/4885

“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.