SCHEMBL4802893

SCHEMBL4802893

CCOP(=O)(OCC)C(OC)c1ccc(Br)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
FDPS P14324 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL1696490 0.83 L3MBTL1 (0.48) L3MBTL1CA12CA1CA2CA9
SCHEMBL3586790 0.79 KMT2A (0.51) L3MBTL1CA12CA1CA2CA9
SCHEMBL8582885 0.77 CA12 (0.51) L3MBTL1CA12CA1CA2CA9
SCHEMBL7027649 0.76 CA12 (0.49) L3MBTL1CA12CA1CA2CA9
SCHEMBL8581171 0.75 AKR1C3 (0.48) L3MBTL1CA12CA1CA2CA9
SCHEMBL4801866 0.74 POLB (0.45) L3MBTL1ALDH1A1GAALMNAPOLB
SCHEMBL5213994 0.73 POLB (0.42) L3MBTL1CA12CA1CA2CA9
SCHEMBL2070455 0.73 L3MBTL1 (0.44) L3MBTL1CA12CA1CA2CA9
SCHEMBL16800062 0.72 POLB (0.62) ALDH1A1NPSR1LMNAKMT2AMEN1
SCHEMBL8580977 0.71 POLB (0.49) L3MBTL1ALDH1A1GAALMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371739-B2 Aryl fructose-1,6-bisphosphatase inhibitors METABASIS THERAPEUTICS, INC. (US) 2008-05-13 US disclosed
EP-1607401-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors Metabasis Therapeutics, Inc. (US) 2005-12-21 EP disclosed
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors BOOKSER BRETT C (US) 2005-08-11 US disclosed
US-6919322-B2 Phenyl Phosphonate Fructose-1,6-Bisphosphatase Inhibitors METABASIS THERAPEUTICS, INC. (US) 2005-07-19 US disclosed
EP-1265907-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS Metabasis Therapeutics, Inc. (US) 2002-12-18 EP disclosed
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors METABASIS THERAPEUTICS, INC. 2002-04-04 US disclosed
WO-2001066553-A2 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS, INC. (US) 2001-09-13 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-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors FBP1, SLC5A1, G6PC1 L3MBTL1 3417/4885CA12 4493/4885CA1 4016/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 L3MBTL1 3647/4885CA12 4591/4885CA1 4224/4885

“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.