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.

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