SCHEMBL4178090

SCHEMBL4178090

CC(C)(C)OC(=O)NCCCc1cc2c3c(c1)c(=O)c(C(=O)O)cn3CCCO2.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.37
BRD4 O60885 1/20 0.35
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
P2RY14 Q15391 1/20 0.34
GSK3B P49841 1/20 0.33
MAN2B1 O00754 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
AKT1 P31749 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
SCHEMBL4178092 0.91 SIGMAR1 (0.35) SIGMAR1BRD4CNR2ALDH1A1MEN1
SCHEMBL4172529 0.89 BRD4 (0.35) SIGMAR1BRD4CNR2ALDH1A1MEN1
SCHEMBL3975810 0.85 MTNR1A (0.41) SIGMAR1ALDH1A1MEN1CYP1A2CYP2D6
SCHEMBL5433728 0.83 SIGMAR1 (0.40) SIGMAR1ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL5435573 0.82 SIGMAR1 (0.40) SIGMAR1ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL4169255 0.82 SIGMAR1 (0.38) SIGMAR1BRD4CNR2ALDH1A1CYP2D6
SCHEMBL5433734 0.81 SIGMAR1 (0.40) SIGMAR1ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL4183931 0.79 SIGMAR1 (0.37) SIGMAR1CNR2MEN1CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL4183630 0.78 KDM4E (0.34) ALDH1A1CYP1A2CYP2D6
SCHEMBL4183936 0.78 SIGMAR1 (0.37) SIGMAR1CNR2MEN1CYP2D6CYP2C19

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 SIGMAR1 1925/4885BRD4 2030/4885CNR2 4419/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 SIGMAR1 601/4885BRD4 3197/4885CNR2 4739/4885

“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.