SCHEMBL973566

SCHEMBL973566

CC(C)(C)OC(=O)CNCCOc1ccc2n[c]sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
LTA4H P09960 2/20 0.39
LMNA P02545 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
KMT2A Q03164 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
PPARA Q07869 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL972864 0.79 LATS1 (0.32) CA1CA2LTA4HMAPT
SCHEMBL973567 0.77 PDK2 (0.48) LMNAPPARAKDM4EALDH1A1POLB
SCHEMBL974267 0.76 LTA4H (0.33) LTA4HITGB3ITGA2BMAPT
SCHEMBL8014001 0.72 CA1 (0.49) CA1CA2LMNACA12CA9
SCHEMBL7967775 0.70 LTA4H (0.47) LTA4HKMT2APPARAMEN1POLB
SCHEMBL7489693 0.70 LTA4H (0.47) LTA4HKMT2APPARAMEN1POLB
SCHEMBL227271 0.69 KMT2A (0.53) CA1CA2LMNAKMT2ACA12
SCHEMBL12177872 0.69 KCNH2 (0.55) CA1CA2LTA4HLMNAKMT2A
SCHEMBL970760 0.69 LTA4H (0.45) LTA4HLMNAMAPTKDM4EALDH1A1
SCHEMBL24977039 0.68 HDAC8 (0.44) CA1CA2LTA4HLMNAITGB3

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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2582706-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 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 (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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD CA1 4735/4885CA2 3057/4885LTA4H 1865/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CA1 4305/4885CA2 2535/4885LTA4H 3974/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD CA1 4735/4885CA2 3057/4885LTA4H 1865/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK CA1 4795/4885CA2 2887/4885LTA4H 2461/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 CA1 4216/4885CA2 2100/4885LTA4H 1046/4885

“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.