SCHEMBL4136252

SCHEMBL4136252

CC(C)(C)OC(=O)NCCOCCSc1cc2c3c(c1)c(=O)c(C(=O)O)cn3CC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
DDB1 Q16531 4/20 0.33
CRBN Q96SW2 4/20 0.33
BCHE P06276 1/20 0.33
CNR2 P34972 1/20 0.33
PARP1 P09874 1/20 0.33
IDO1 P14902 2/20 0.32
ADRA2B P18089 1/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
P2RY14 Q15391 1/20 0.32
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL4143470 0.87 KDM4E (0.51) KDM4ESMN1; SMN2CYP1A2DDB1CRBN
SCHEMBL5313782 0.87 KDM4E (0.51) KDM4ESMN1; SMN2CYP1A2DDB1CRBN
SCHEMBL4143472 0.87 KDM4E (0.51) KDM4ESMN1; SMN2CYP1A2DDB1CRBN
SCHEMBL4134781 0.85 DDB1 (0.40) KDM4ESMN1; SMN2CYP1A2DDB1CRBN
SCHEMBL4134055 0.82 KDM4E (0.39) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
SCHEMBL5435573 0.81 SIGMAR1 (0.40) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
SCHEMBL5433734 0.80 SIGMAR1 (0.40) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
SCHEMBL5433728 0.80 SIGMAR1 (0.40) KDM4ESMN1; SMN2CYP1A2ADRA2BMAPK1
SCHEMBL4883781 0.78 BCHE (0.35) KDM4ESMN1; SMN2DDB1CRBNBCHE
SCHEMBL4136760 0.76 DDB1 (0.38) DDB1CRBNBCHECNR2PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111760-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-30 US disclosed
EP-1824869-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050941-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 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-20090111760-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 KDM4E 3897/4885SMN1; SMN2 2560/4885CYP1A2 146/4885

“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.