SCHEMBL970546

SCHEMBL970546

CCOC(=O)CCSc1nn[c]s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
KDM4E B2RXH2 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 1/20 0.40
GLA P06280 1/20 0.39
GAA P10253 3/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 2/20 0.36
BRCA1 P38398 1/20 0.36
HSD17B10 Q99714 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
APEX1 P27695 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL972705 0.92 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL973701 0.85 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTKMT2AHPGD
SCHEMBL16886213 0.77 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL16886212 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL970781 0.73 KDM4E (0.46) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL1241817 0.73 ALDH1A1 (0.74) ALDH1A1KDM4ETDP1MAPTHPGD
SCHEMBL11684665 0.73 ALDH1A1 (0.33) ALDH1A1KDM4EKMT2APOLBGAA
SCHEMBL970570 0.72 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1MAPTKMT2A
SCHEMBL11685860 0.72 ALDH1A1 (0.48) ALDH1A1TDP1MAPTKMT2AHPGD
SCHEMBL17548960 0.70 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1MAPTKMT2A

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 15 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
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP 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
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127544-A1 PYRIDAZINONE 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 ALDH1A1 902/4885KDM4E 2655/4885TDP1 2582/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885KDM4E 1156/4885TDP1 1793/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885KDM4E 2655/4885TDP1 2582/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885KDM4E 2578/4885TDP1 3385/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 ALDH1A1 545/4885KDM4E 2999/4885TDP1 3628/4885

“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.