SCHEMBL4172073

SCHEMBL4172073

CCOC(=O)c1cn2c3c(cc(CCCNC(=O)OC(C)(C)C)cc3c1=O)COC2(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
ADRB2 P07550 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
STAT3 P40763 1/20 0.33
AVPR1A P37288 1/20 0.33
DRD2 P14416 4/20 0.33
DYRK1A Q13627 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL4186321 0.89 SIGMAR1 (0.36) KDM4ESIGMAR1GAAMAPTAVPR1A
SCHEMBL4186330 0.89 SIGMAR1 (0.36) KDM4ESIGMAR1GAAMAPTAVPR1A
SCHEMBL4174568 0.84 KDM4E (0.34) KDM4EADRB2ADORA3ADORA2AALDH1A1
SCHEMBL4172778 0.84 ADRB2 (0.38) KDM4EADRB2ADORA3ADORA2AALDH1A1
SCHEMBL4183629 0.83 DDB1 (0.38) KDM4EADRB2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3981476 0.82 MTNR1A (0.42) KDM4EADRB2ALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL4186572 0.78 STAT3 (0.39) KDM4EADRB2ALDH1A1HPGDSMN1; SMN2
SCHEMBL3289249 0.77 SIGMAR1 (0.35) KDM4EADRB2ADORA3ADORA2AALDH1A1
SCHEMBL4172529 0.76 BRD4 (0.35) KDM4EADRB2ADORA3ADORA2AALDH1A1
SCHEMBL4136760 0.76 DDB1 (0.38) ADRB2ADORA3ADORA2AALDH1A1SIGMAR1

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 4 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
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-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 (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 KDM4E 3897/4885ADRB2 3053/4885ADORA3 4738/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 KDM4E 4136/4885ADRB2 3016/4885ADORA3 4701/4885

“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.