SCHEMBL2656079

SCHEMBL2656079

CCC(C)OP(=O)(O)c1ccc(C=O)s1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2657589 0.77 GSK3B (0.37) ALDH1A1
SCHEMBL9982978 0.75
Butane SCHEMBL2658735 0.73 ALDH1A1 (0.42) ALDH1A1
SCHEMBL2656361 0.71 SMN1; SMN2 (0.38) ALDH1A1
SCHEMBL2656076 0.69 ALDH1A1 (0.41) ALDH1A1
SCHEMBL12021053 0.68 ALDH1A1 (0.40) ALDH1A1
SCHEMBL778445 0.67 ALDH1A1 (0.47) ALDH1A1
SCHEMBL12021220 0.67 ALDH1A1 (0.40) ALDH1A1
SCHEMBL3894262 0.66 TSHR (0.47) ALDH1A1
SCHEMBL914853 0.65 HTT (0.39) ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174062-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2019-01-08 US disclosed
US-10005805-B2 2018-06-26 US disclosed
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. 2017-04-06 US disclosed
US-9522926-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2016-12-20 US disclosed
US-20150119365-A1 NOVEL ACTIVATORS OF GLUCOKINASE CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-04-30 US disclosed
US-8940927-B2 Activators of glucokinase METABASIS THERAPEUTICS, INC. (US) 2015-01-27 US disclosed
EP-2185570-B1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS INC (US) 2014-03-19 EP disclosed
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2011-12-01 US disclosed
EP-2185570-A2 NOVEL ACTIVATORS OF GLUCOKINASE Metabasis Therapeutics, Inc. (US) 2010-05-19 EP disclosed
WO-2009023718-A2 NOVEL ACTIVATORS OF GLUCOKINASE METABASIS THERAPEUTICS, INC. (US) 2009-02-19 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 (5 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-10005805-B2 GCKR, GCK, HK1 ALDH1A1 1843/4885
US-20150119365-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 ALDH1A1 2389/4885
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 ALDH1A1 2389/4885
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 ALDH1A1 2389/4885
US-10174062-B2 Activators of glucokinase GCKR, GCK, HK1 ALDH1A1 2263/4885

“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.