SCHEMBL4800366

SCHEMBL4800366

CCC(CC)(OC(=O)c1cccc(Br)c1OC)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCLAT1 Q6UWP7 1/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.34
AHR P35869 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 2/20 0.33
CTSS P25774 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
SCHEMBL4805069 0.78 CTSD (0.50) ALDH1A1SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL27603270 0.77 KMT2A (0.42) LCLAT1NPC1RAB9AHSD17B10KMT2A
SCHEMBL670404 0.76 TSHR (0.58) ALDH1A1HSD17B10LMNAMAPTALOX15
SCHEMBL184184 0.75 LMNA (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL4800372 0.73 TSHR (0.40) LCLAT1ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL2486632 0.71 CTSD (0.56) LCLAT1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29730967 0.70 RAB9A (0.45) LCLAT1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13091554 0.70 RAB9A (0.45) LCLAT1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL184917 0.70 HSD17B10 (0.58) ALDH1A1HSD17B10MAPTALOX15MAPK1
SCHEMBL16454332 0.69 MTNR1A (0.48) LCLAT1ALDH1A1SMN1; SMN2NPC1RAB9A

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 LCLAT1 347/4885ALDH1A1 228/4885SMN1; SMN2 3458/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 LCLAT1 351/4885ALDH1A1 341/4885SMN1; SMN2 3726/4885

“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.