SCHEMBL4186330

SCHEMBL4186330

CC(C)(C)OC(=O)NCCCc1cc2c3c(c1)c(=O)c(C(=O)O)cn3C(C)(C)OC2.[Na]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.36
KDM4E B2RXH2 1/20 0.35
P2RY14 Q15391 1/20 0.34
DRD2 P14416 4/20 0.34
AVPR1A P37288 2/20 0.34
GSK3B P49841 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP3A43 Q9HB55 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 0.98 SIGMAR1 (0.36) SIGMAR1KDM4EP2RY14DRD2AVPR1A
SCHEMBL4186324 0.91 KDM4E (0.35) SIGMAR1KDM4EDRD2AVPR1AMAPT
SCHEMBL4172073 0.89 KDM4E (0.34) SIGMAR1KDM4EDRD2AVPR1AMAPT
SCHEMBL4183936 0.83 SIGMAR1 (0.37) SIGMAR1KDM4EP2RY14DRD2GSK3B
SCHEMBL4173224 0.83 GSK3B (0.38) SIGMAR1KDM4EP2RY14GSK3BCA1
SCHEMBL4183931 0.82 SIGMAR1 (0.37) SIGMAR1KDM4EP2RY14DRD2GSK3B
SCHEMBL4173219 0.81 GSK3B (0.38) SIGMAR1KDM4EP2RY14GSK3BMEN1
SCHEMBL4169255 0.81 SIGMAR1 (0.38) SIGMAR1P2RY14DRD2GSK3BCYP1A1
SCHEMBL5433734 0.80 SIGMAR1 (0.40) SIGMAR1KDM4EP2RY14DRD2GSK3B
SCHEMBL14529588 0.80 GSK3B (0.33) KDM4EGSK3B

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 6 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
EP-1824497-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
WO-2006050943-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 SIGMAR1 1925/4885KDM4E 3897/4885P2RY14 2717/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 SIGMAR1 601/4885KDM4E 4136/4885P2RY14 3005/4885

“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.