SCHEMBL4173224

SCHEMBL4173224

CC1OCc2cc(CCCNC(=O)OC(C)(C)C)cc3c(=O)c(C(=O)O)cn1c23.[Na]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.38
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
SIGMAR1 Q99720 3/20 0.36
P2RY14 Q15391 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ATR Q13535 2/20 0.33
ATRIP Q8WXE1 2/20 0.33
CNR2 P34972 1/20 0.33
DYRK1A Q13627 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALB P02768 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TUBB4A P04350 1/20 0.33

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
SCHEMBL4173219 0.98 GSK3B (0.38) GSK3BKDM4ESMN1; SMN2CYP1A2SIGMAR1
SCHEMBL4173220 0.91 SIGMAR1 (0.34) GSK3BKDM4ESIGMAR1PDE4APDE4B
SCHEMBL4172778 0.89 ADRB2 (0.38) KDM4ESMN1; SMN2CYP1A2SIGMAR1PDE4A
SCHEMBL4183936 0.83 SIGMAR1 (0.37) GSK3BKDM4ESIGMAR1P2RY14ATR
SCHEMBL4186330 0.83 SIGMAR1 (0.36) GSK3BKDM4ESIGMAR1P2RY14CA1
SCHEMBL4183931 0.82 SIGMAR1 (0.37) GSK3BKDM4ESIGMAR1P2RY14ATR
SCHEMBL4886270 0.81 KDM4E (0.43) GSK3BKDM4ESMN1; SMN2CYP1A2ALDH1A1
SCHEMBL4169255 0.81 SIGMAR1 (0.38) GSK3BSIGMAR1P2RY14ATRATRIP
SCHEMBL4186321 0.81 SIGMAR1 (0.36) GSK3BKDM4ESIGMAR1P2RY14MEN1
SCHEMBL5433734 0.80 SIGMAR1 (0.40) GSK3BKDM4ESMN1; SMN2CYP1A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 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 (2 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 GSK3B 2763/4885KDM4E 3897/4885SMN1; SMN2 2560/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 GSK3B 3177/4885KDM4E 4136/4885SMN1; SMN2 1922/4885

“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.