SCHEMBL505148

SCHEMBL505148

CC(C)CC(=O)c1c(O)cc2oc3c(C(=O)CC(C)C)c(O)cc(O)c3c2c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 1.00
FFAR1 O14842 1/20 0.60
PTGES O14684 2/20 0.44
ALOX5 P09917 2/20 0.44
HIF1A Q16665 7/20 0.40
EPAS1 Q99814 7/20 0.40
BCL2L1 Q07817 1/20 0.39
CLK1 P49759 1/20 0.36

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
SCHEMBL504689 0.77 FBP1 (1.00) FBP1FFAR1PTGESALOX5HIF1A
SCHEMBL31580496 0.77 FFAR1 (1.00) FBP1FFAR1PTGESALOX5BCL2L1
SCHEMBL7887580 0.74 FFAR1 (0.85) FBP1FFAR1PTGESALOX5BCL2L1
Isodispar B SCHEMBL29516983 0.73 HIF1A (0.64) FBP1FFAR1HIF1AEPAS1
SCHEMBL29287621 0.71 FFAR1 (0.79) FBP1FFAR1PTGESALOX5BCL2L1
SCHEMBL28843642 0.70 FFAR1 (0.77) FBP1FFAR1PTGESALOX5BCL2L1
SCHEMBL6276169 0.67 FFAR1 (0.71) FBP1FFAR1BCL2L1
Rhodomyrtoxin SCHEMBL12210330 0.66 FBP1 (0.49) FBP1FFAR1HIF1AEPAS1BCL2L1
SCHEMBL7221645 0.65 ELANE (0.58) FBP1FFAR1
SCHEMBL504402 0.65 MEN1 (0.55) FBP1FFAR1PTGESALOX5HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
US-20120028892-A1 INHIBITORS OF FRUCTOSE 1,6-BISPHOSPHATASE AND METHODS OF USE THEREOF TRUSTEES OF BOSTON COLLEGE (US) 2012-02-02 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
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 FBP1 1/4885FFAR1 363/4885PTGES 1739/4885

“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.