SCHEMBL2657589

SCHEMBL2657589

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
LMNA P02545 3/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PRNP P04156 1/20 0.32
RECQL P46063 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL2656079 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL9982978 0.72
SCHEMBL2656361 0.71 SMN1; SMN2 (0.38) ALDH1A1MAPT
SCHEMBL2657588 0.71 GSK3B (0.42) GSK3BHDAC6LMNATSHRHPGD
SCHEMBL778445 0.67 ALDH1A1 (0.47) TSHRALDH1A1L3MBTL1KDM4EGAA
SCHEMBL3894262 0.66 TSHR (0.47) LMNATSHRHPGDALDH1A1GAA
SCHEMBL19216452 0.65 GSK3B (0.46) GSK3BHDAC6LMNATSHRHPGD
SCHEMBL895237 0.65 ALDH1A1 (0.38) LMNAHPGDALDH1A1KDM4EGAA
SCHEMBL914853 0.65 HTT (0.39) LMNAHPGDALDH1A1MAPT
SCHEMBL11648928 0.65 MEN1 (0.39) LMNAALDH1A1KDM4EGAACYP3A4

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 GSK3B 535/4885HDAC6 1309/4885LMNA 3338/4885
US-20150119365-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 GSK3B 818/4885HDAC6 1955/4885LMNA 3764/4885
US-20110294758-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 GSK3B 818/4885HDAC6 1955/4885LMNA 3764/4885
US-20170096440-A1 NOVEL ACTIVATORS OF GLUCOKINASE GCKR, GCK, HK1 GSK3B 818/4885HDAC6 1955/4885LMNA 3764/4885
US-10174062-B2 Activators of glucokinase GCKR, GCK, HK1 GSK3B 721/4885HDAC6 1947/4885LMNA 3697/4885

“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.