SCHEMBL974267

SCHEMBL974267

CC(C)(C)OC(=O)CNCCCOc1ccc2n[c]sc2n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.33
LATS1 O95835 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LIPG Q9Y5X9 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ACKR3 P25106 1/20 0.31
MAPT P10636 1/20 0.31
GABRA5 P31644 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
SCHEMBL972864 0.97 LATS1 (0.32) LTA4HLATS1L3MBTL1LIPGMAPT
SCHEMBL973646 0.84 CA12 (0.43) L3MBTL1
SCHEMBL9988112 0.84 LTA4H (0.36) LTA4H
SCHEMBL970361 0.82 PTPN1 (0.32) LATS1L3MBTL1MAPT
SCHEMBL9987433 0.80 LTA4H (0.35) LTA4H
SCHEMBL972865 0.77 GBA1 (0.39)
SCHEMBL973566 0.76 CA1 (0.42) LTA4HITGB3ITGA2BMAPT
SCHEMBL973499 0.75 LATS1 (0.35) LATS1
SCHEMBL9987340 0.72 LMNA (0.44) L3MBTL1MAPT
SCHEMBL969683 0.71 PIK3CD (0.39)

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 11 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
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
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP 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
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD LTA4H 1865/4885LATS1 1737/4885L3MBTL1 4254/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 LTA4H 3974/4885LATS1 1154/4885L3MBTL1 4431/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD LTA4H 1865/4885LATS1 1737/4885L3MBTL1 4254/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK LTA4H 2461/4885LATS1 1823/4885L3MBTL1 4364/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 LTA4H 1046/4885LATS1 3061/4885L3MBTL1 4425/4885

“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.