SCHEMBL970570

SCHEMBL970570

CCOC(=O)CCSc1cn[c]s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 6/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 4/20 0.41
GLA P06280 1/20 0.41
CDK1 P06493 2/20 0.40
CDK4 P11802 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
MEN1 O00255 2/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNB1 P14635 1/20 0.40
CCND1 P24385 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
BRCA1 P38398 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
SCHEMBL971410 0.85 CCNB2 (0.54) ALDH1A1KDM4EHPGDL3MBTL1POLB
SCHEMBL1009007 0.76 CCNE1 (0.36) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL10818255 0.75 ALDH1A1 (0.46) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL999731 0.73 SMN1; SMN2 (0.56) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL970546 0.72 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL970781 0.72 KDM4E (0.46) ALDH1A1KDM4ETDP1HPGDMAPT
SCHEMBL972840 0.71 TP53 (0.41) ALDH1A1POLBKMT2ACDK1CDK4
SCHEMBL970611 0.68 CA2 (0.38)
SCHEMBL1009180 0.68 KMT2A (0.39) ALDH1A1KDM4EHPGDMAPTKMT2A
SCHEMBL999232 0.68 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1HPGDMAPT

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 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.