SCHEMBL4805072

SCHEMBL4805072

CCOP(=O)(COC(=O)c1ccccc1OC)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CTSD P07339 1/20 0.49
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 3/20 0.47
ATM Q13315 1/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
GAA P10253 2/20 0.44
ERN1 O75460 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNK3 O14649 1/20 0.44

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
SCHEMBL873499 0.81 TSHR (0.71) NPC1RAB9ACTSDALDH1A1L3MBTL1
SCHEMBL29678391 0.81 TSHR (0.71) NPC1RAB9ACTSDALDH1A1L3MBTL1
SCHEMBL4801979 0.81 LMNA (0.45) ALDH1A1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL4949878 0.79 CTSD (0.51) NPC1RAB9ACTSDALDH1A1L3MBTL1
SCHEMBL4800372 0.79 TSHR (0.40) NPC1RAB9AALDH1A1KMT2AHTT
SCHEMBL17978143 0.77 TSHR (0.65) NPC1RAB9AALDH1A1KMT2ATSHR
SCHEMBL1072024 0.75 ALDH1A1 (0.73) NPC1RAB9ACTSDALDH1A1L3MBTL1
SCHEMBL6895565 0.75 ALDH1A1 (0.58) NPC1RAB9ACTSDALDH1A1L3MBTL1
SCHEMBL10444915 0.75 TSHR (0.56) NPC1RAB9ACTSDALDH1A1L3MBTL1
SCHEMBL7954423 0.73 ALDH1A1 (0.56) NPC1RAB9ACTSDALDH1A1L3MBTL1

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 NPC1 793/4885RAB9A 2418/4885CTSD 2458/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 NPC1 992/4885RAB9A 2409/4885CTSD 2280/4885

“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.