SCHEMBL4805069

SCHEMBL4805069

CCC(CC)(OC(=O)c1ccccc1OC)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.50
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.45
HPGD P15428 4/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
LMNA P02545 1/20 0.44
STAT3 P40763 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL4801974 0.81 FLT1 (0.48) MAPTTSHRGAANPSR1KMT2A
SCHEMBL4800366 0.78 LCLAT1 (0.36) MAPTMAPK1GAAHSD17B10NPC1
SCHEMBL4949883 0.78 CTSD (0.51) CTSDMAPTMAPK1TSHRGAA
SCHEMBL934637 0.76 MAPT (0.58) CTSDMAPTMAPK1TSHRGAA
SCHEMBL30822582 0.74 MAPT (0.56) CTSDMAPTMAPK1TSHRGAA
SCHEMBL6871536 0.74 CTSD (0.54) CTSDMAPTMAPK1TSHRGAA
SCHEMBL27573172 0.74 CTSD (0.54) CTSDMAPTMAPK1TSHRGAA
SCHEMBL2612526 0.74 NPC1 (0.56) CTSDMAPTMAPK1TSHRGAA
SCHEMBL3609087 0.73 CTSD (0.57) CTSDMAPTMAPK1TSHRGAA
SCHEMBL6871535 0.73 MAPT (0.57) CTSDMAPTMAPK1TSHRGAA

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 CTSD 2458/4885MAPT 3420/4885MAPK1 129/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 CTSD 2280/4885MAPT 3244/4885MAPK1 199/4885

“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.