SCHEMBL4801868

SCHEMBL4801868

CCOP(=O)(COCc1cccc(OC)c1)OCC

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
MAOB P27338 5/20 0.44
CMA1 P23946 1/20 0.43
TAAR1 Q96RJ0 3/20 0.43
MMP13 P45452 1/20 0.42

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
SCHEMBL30323683 0.82 CMA1 (0.47) IDO1AGXTCMA1TAAR1MMP13
SCHEMBL4237467 0.82 CMA1 (0.47) IDO1AGXTCMA1TAAR1MMP13
SCHEMBL4248141 0.81 IDO1 (0.54) IDO1AGXTMAOBCMA1TAAR1
SCHEMBL4150229 0.80 TSHR (0.48)
SCHEMBL12093572 0.80 IDO1 (0.65) IDO1AGXTMAOBCMA1TAAR1
SCHEMBL29648388 0.78 TSHR (0.51) IDO1AGXTMAOBTAAR1MMP13
SCHEMBL3768643 0.78 IDO1 (0.71) IDO1AGXTMAOBCMA1TAAR1
SCHEMBL21875855 0.77 IDO1 (0.61) IDO1AGXTMAOBCMA1TAAR1
SCHEMBL4802894 0.75 ALDH1A1 (0.38)
SCHEMBL6205291 0.75 IDO1 (0.62) IDO1AGXTMAOBCMA1TAAR1

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 IDO1 697/4885AGXT 150/4885MAOB 977/4885
US-20050176684-A1 Novel aryl fructose-1,6-bisphosphatase inhibitors FBP1, G6PC1, SLC5A1 IDO1 930/4885AGXT 123/4885MAOB 832/4885

“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.