SCHEMBL4802602

SCHEMBL4802602

CCC(CC)(Oc1ccc(C(C)(C)C)cc1N)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
RECQL P46063 1/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2C19 P33261 2/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ATM Q13315 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4133431 0.80 GAA (0.38) MAPTGAAHSD17B10SMN1; SMN2NPC1
SCHEMBL4125891 0.80 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4189375 0.78 TRPA1 (0.35) ALDH1A1HSD17B10TDP1SMN1; SMN2NPC1
SCHEMBL4798714 0.77 MAPT (0.45) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4129613 0.71 MAPT (0.38) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL8154110 0.70 MAPT (0.55) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4802589 0.70 MAPT (0.40) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL4135402 0.70 POLB (0.33) L3MBTL1
SCHEMBL16767200 0.69 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL15043711 0.69 ALDH1A1 (0.50) MAPTALDH1A1MEN1KMT2AGAA

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-1265907-B9 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-05-09 EP disclosed
EP-1265907-B1 NOVEL ARYL FRUCTOSE-1,6-BISPHOSPHATASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2007-01-03 EP 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
US-20020040014-A1 Novel aryl fructose-1,6-Bisphosphatase inhibitors METABASIS THERAPEUTICS, INC. 2002-04-04 US 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 MAPT 3420/4885ALDH1A1 228/4885MEN1 1728/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 MAPT 3244/4885ALDH1A1 341/4885MEN1 2273/4885

“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.