SCHEMBL3846850

SCHEMBL3846850

CCOC(=O)c1c(O)c(C(C)(C)C)nn(Cc2ccccc2C(F)(F)F)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 6/20 0.44
LMNA P02545 2/20 0.42
RECQL P46063 1/20 0.41
HTT P42858 1/20 0.41
ALOX5 P09917 1/20 0.39
NPBWR1 P48145 1/20 0.39
P2RY14 Q15391 1/20 0.39
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 2/20 0.37
PPARG P37231 1/20 0.37
CMA1 P23946 1/20 0.37

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
SCHEMBL3852981 0.88 KDM4E (0.48) KDM4EALDH1A1LMNARECQLHTT
SCHEMBL3846817 0.87 ALDH1A1 (0.42) KDM4EALDH1A1LMNARECQLEPHX2
SCHEMBL3856401 0.86 ALDH1A1 (0.53) KDM4EALDH1A1LMNARECQLHTT
SCHEMBL3857672 0.86 KDM4E (0.47) KDM4EALDH1A1LMNARECQLHTT
SCHEMBL27895958 0.86 KDM4E (0.47) KDM4EALDH1A1LMNARECQLHTT
SCHEMBL3857680 0.85 KDM4E (0.43) KDM4EALDH1A1LMNARECQLHTT
SCHEMBL3854878 0.83 ALDH1A1 (0.46) KDM4EALDH1A1LMNAGAA
SCHEMBL3847891 0.82 ALDH1A1 (0.41) KDM4EALDH1A1LMNARECQLHTT
SCHEMBL15535994 0.80 GNRHR (0.38) KDM4EALDH1A1HTTNPBWR1P2RY14
SCHEMBL3852949 0.80 EGLN3 (0.48) P2RY14

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 5 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
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

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 KDM4E 527/4885ALDH1A1 564/4885LMNA 2802/4885

“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.