SCHEMBL4801979

SCHEMBL4801979

CCOP(=O)(COC(=O)c1ccc(Cl)cc1OC)OCC

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
NR1I2 O75469 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL27603260 0.84 FLT1 (0.48) LMNAFLT1FLT4KDRKMT2A
SCHEMBL5066728 0.83 LMNA (0.50) LMNAFLT1FLT4KDRKMT2A
SCHEMBL4805072 0.81 NPC1 (0.51) LMNAKMT2AALDH1A1HPGDKDM4E
SCHEMBL17502664 0.76 KDM4E (0.59) LMNAKMT2AALDH1A1MEN1TDP1
SCHEMBL1484183 0.74 ABL1 (0.64) LMNAFLT1FLT4KDRKMT2A
SCHEMBL4801974 0.73 FLT1 (0.48) LMNAFLT1FLT4KDRKMT2A
SCHEMBL11070999 0.72 LMNA (0.41) LMNAKMT2AALDH1A1MEN1NR1I2
SCHEMBL13850168 0.72 KDM4E (0.50) LMNAKMT2AALDH1A1MEN1TDP1
SCHEMBL1546491 0.72 MAPK1 (0.50) KMT2AMEN1TDP1KDM4EGAA
SCHEMBL4729820 0.72 LMNA (0.61) LMNAKMT2AALDH1A1MEN1TDP1

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 LMNA 4671/4885FLT1 442/4885FLT4 1924/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 LMNA 4677/4885FLT1 461/4885FLT4 1735/4885

“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.