SCHEMBL969935

SCHEMBL969935

O=C(O)CCSc1cn[c]s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
PRNP P04156 2/20 0.40
MAPK10 P53779 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
CSNK2A1 P68400 2/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 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
SCHEMBL970570 0.79 ALDH1A1 (0.45) NPSR1ALDH1A1HSD17B10GAATSHR
SCHEMBL970611 0.75 CA2 (0.38)
SCHEMBL971410 0.68 CCNB2 (0.54) PRNPALDH1A1HSD17B10GAATSHR
SCHEMBL9072653 0.68 APEX1 (0.47) APEX1PRNPMAPK10NPSR1RXFP1
SCHEMBL13639769 0.66 CCNE1 (0.70)
SCHEMBL1009007 0.65 CCNE1 (0.36) ALDH1A1HSD17B10SMN1; SMN2POLBHPGD
SCHEMBL5717731 0.64 HPGD (0.47) APEX1PRNPMAPK10NPSR1RXFP1
SCHEMBL9258239 0.63 APEX1 (0.46) APEX1PRNPMAPK10NPSR1RXFP1
SCHEMBL8441393 0.62 APEX1 (1.00) APEX1NPSR1ALDH1A1HSD17B10GAA
SCHEMBL9748936 0.61 APEX1 (0.51) APEX1PRNPMAPK10NPSR1RXFP1

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 APEX1 4283/4885PRNP 1535/4885MAPK10 1025/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 APEX1 2926/4885PRNP 1345/4885MAPK10 1558/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD APEX1 4283/4885PRNP 1535/4885MAPK10 1025/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK APEX1 4622/4885PRNP 1793/4885MAPK10 875/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 APEX1 4780/4885PRNP 4808/4885MAPK10 2436/4885

“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.