SCHEMBL4175944

SCHEMBL4175944

CCOC(=O)c1cn(CC)c2cnc(SCCNC(=O)OC(C)(C)C)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.44
KDM4E B2RXH2 5/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
P2RX3 P56373 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
SCHEMBL4172199 0.90 KDM4E (0.43) LMNAPOLBKDM4EHPGDALDH1A1
SCHEMBL3816675 0.84 LMNA (0.55) LMNAPOLBKDM4EHPGDALDH1A1
SCHEMBL5463685 0.83 LMNA (0.40) LMNAPOLBKDM4EHPGDALDH1A1
SCHEMBL3811662 0.80 LMNA (0.52) LMNAPOLBKDM4EHPGDALDH1A1
SCHEMBL3816031 0.79 LMNA (0.51) LMNAPOLBKDM4EHPGDALDH1A1
Formic Acid SCHEMBL4392627 0.78 LMNA (0.49) LMNAPOLBKDM4EHPGDALDH1A1
SCHEMBL3982430 0.76 LMNA (0.56) LMNAPOLBKDM4EHPGDALDH1A1
SCHEMBL3815910 0.76 LMNA (0.49) LMNAPOLBKDM4EHPGDALDH1A1
SCHEMBL3317458 0.75 LMNA (0.61) LMNAPOLBKDM4EHPGDALDH1A1
SCHEMBL3974878 0.75 TSHR (0.41) LMNAPOLBKDM4EHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 LMNA 1055/4885POLB 1357/4885KDM4E 3897/4885

“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.