SCHEMBL504402

SCHEMBL504402

Cc1c(O)c(C(=O)CC(C)C)c2oc3c(C)c(O)c(C(=O)CC(C)C)c(O)c3c2c1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
FBP1 P09467 1/20 0.48
FFAR1 O14842 2/20 0.43
HIF1A Q16665 7/20 0.41
EPAS1 Q99814 7/20 0.41
PTGES O14684 3/20 0.33
ALOX5 P09917 3/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
BCL2L1 Q07817 1/20 0.33
FASN P49327 1/20 0.33

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
Rhodomyrtoxin SCHEMBL12210330 0.94 FBP1 (0.49) MEN1LMNATP53MAPTMAPK1
SCHEMBL14645012 0.90 FBP1 (0.46) MEN1LMNATP53MAPTMAPK1
SCHEMBL9752800 0.79 FFAR1 (0.62) FBP1FFAR1HIF1AEPAS1PTGES
Rhodomyrtoxin B SCHEMBL12827333 0.71 MAPT (1.00) MEN1LMNATP53MAPTMAPK1
Grandinol SCHEMBL31348060 0.69 FFAR1 (0.47) MAPTFBP1FFAR1HIF1AEPAS1
SCHEMBL505148 0.65 FBP1 (1.00) FBP1FFAR1HIF1AEPAS1PTGES
SCHEMBL29287621 0.65 FFAR1 (0.79) FBP1FFAR1PTGESALOX5PLA2G2A
SCHEMBL29664009 0.61 CYP3A4 (0.61) MEN1MAPTKMT2AFFAR1FASN
SCHEMBL11422414 0.60 FFAR1 (0.43) FFAR1
Jensenone SCHEMBL29361936 0.60 FFAR1 (0.52) MAPTFBP1FFAR1HIF1AEPAS1

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-20120028892-A1 INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF TRUSTEES OF BOSTON COLLEGE (US) 2012-02-02 US claimed
US-9273021-B2 Dibenzofuran derivatives as inhibitors of fructose 1,6-bisphosphatase and methods of use thereof TRUSTEES OF BOSTON COLLEGE (US) 2016-03-01 US disclosed
US-20120028892-A1 INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF TRUSTEES OF BOSTON COLLEGE (US) 2012-02-02 US disclosed
WO-2010091185-A2 INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF TRUSTEES OF BOSTON COLLEGE (US) 2010-08-12 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-20120028892-A1 INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF FBP1, SLC5A1, ALDOA MEN1 1524/4885LMNA 4651/4885TP53 4546/4885

“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.