SCHEMBL972820

SCHEMBL972820

COC(=O)CNS(=O)(=O)c1cn[c]s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 7/20 0.34
CA2 P00918 6/20 0.34
CA14 Q9ULX7 5/20 0.34
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 5/20 0.32
CA9 Q16790 5/20 0.32
CYP1A2 P05177 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31

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
SCHEMBL969054 0.87 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL24762895 0.66 ALDH1A1 (0.71) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL3239227 0.65 ALDH1A1 (0.71) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL570839 0.64 ALDH1A1 (0.73) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL973139 0.63 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHPGDCA12
SCHEMBL28677877 0.63 KDM4E (0.71) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL24762900 0.63 ALDH1A1 (0.71) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL7383813 0.63 ALDH1A1 (0.71) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL24762008 0.63 ALDH1A1 (0.71) ALDH1A1KDM4ENPC1GAAHPGD
SCHEMBL15548708 0.62 ALDH1A1 (0.53) ALDH1A1KDM4ENPC1GAAHPGD

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-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE 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 ALDH1A1 902/4885KDM4E 2655/4885NPC1 4180/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885KDM4E 1156/4885NPC1 3656/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885KDM4E 2655/4885NPC1 4180/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885KDM4E 2578/4885NPC1 3631/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 ALDH1A1 545/4885KDM4E 2999/4885NPC1 250/4885

“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.