SCHEMBL438867

SCHEMBL438867

CC(C)(C)N(CC(=O)O)C(=O)OCOC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 3/20 0.44
DAO P14920 1/20 0.44
SRD5A2 P31213 1/20 0.44
FLT3 P36888 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL393551 0.88 CCKBR (0.45) KDM4ELMNATP53L3MBTL1HPGD
SCHEMBL394359 0.78 HRH3 (0.43) KDM4EHPGDALDH1A1MAPTRAB9A
SCHEMBL394164 0.78 KDM4E (0.43) KDM4ELMNAL3MBTL1HPGDALDH1A1
SCHEMBL28171741 0.77 MAPK1 (0.59) KDM4ELMNATP53L3MBTL1HPGD
SCHEMBL393653 0.76 ADRB2 (0.46) KDM4EL3MBTL1HPGDALDH1A1MAPT
SCHEMBL394011 0.76 MEN1 (0.55) KDM4EHPGDALDH1A1MAPTRAB9A
SCHEMBL393341 0.74 KDM4E (0.50) KDM4EL3MBTL1HPGDALDH1A1MAPT
SCHEMBL392988 0.74 KDM4E (0.46) KDM4EL3MBTL1HPGDALDH1A1MAPT
SCHEMBL390381 0.74 MAPK1 (0.41) LMNAHPGDALDH1A1MAPTGAA
SCHEMBL393416 0.73 ADRB2 (0.44) TP53MAPT

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-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP claimed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO claimed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 US claimed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 US disclosed
EP-1919879-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES Wyeth a Corporation of the State of Delaware (US) 2008-05-14 EP disclosed
WO-2007027599-A1 9-AMINOCARBONYLSUBSTITUTED DERIVATIVES OF GLYCYLCYCLINES WYETH (US) 2007-03-08 WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 KDM4E 1240/4885LMNA 2954/4885TP53 2975/4885

“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.