SCHEMBL969744

SCHEMBL969744

COC(=O)c1cccc(Oc2cn[c]s2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 1/20 0.43
POLB P06746 2/20 0.42
MET P08581 1/20 0.42
ALK Q9UM73 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL971658 0.83 ATM (0.48) ALDH1A1KDM4E
SCHEMBL973457 0.80 KDM4E (0.38) SMN1; SMN2ALKALDH1A1PKMHPGD
SCHEMBL2436534 0.78 L3MBTL1 (0.65) L3MBTL1SMN1; SMN2TP53POLBALDH1A1
SCHEMBL2667226 0.75 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2TP53CYSLTR1NR1H2
SCHEMBL521860 0.74 AKR1C3 (0.68) L3MBTL1SMN1; SMN2TP53ALDH1A1NPC1
SCHEMBL6201975 0.72 ALDH1A1 (0.64) L3MBTL1ALDH1A1MEN1MAPK1KMT2A
SCHEMBL5558318 0.72 SMN1; SMN2 (0.66) L3MBTL1SMN1; SMN2TP53POLBALDH1A1
SCHEMBL883130 0.72 TNKS (0.60) L3MBTL1SMN1; SMN2TP53POLBALDH1A1
SCHEMBL25620305 0.72 MEN1 (0.59) L3MBTL1SMN1; SMN2TP53METALK
SCHEMBL6798334 0.72 MEN1 (0.72) L3MBTL1SMN1; SMN2TP53CYSLTR1POLB

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
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
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP 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-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
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 L3MBTL1 4254/4885SMN1; SMN2 2275/4885TP53 4350/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 L3MBTL1 4431/4885SMN1; SMN2 2392/4885TP53 4199/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD L3MBTL1 4254/4885SMN1; SMN2 2275/4885TP53 4350/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK L3MBTL1 4364/4885SMN1; SMN2 2837/4885TP53 4147/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 L3MBTL1 4425/4885SMN1; SMN2 3602/4885TP53 3539/4885

“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.