SCHEMBL972846

SCHEMBL972846

COC(=O)CCSCc1cs[c]n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD17B10 Q99714 3/20 0.39
TSHR P16473 4/20 0.33
PTGS1 P23219 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
KAT2B Q92831 1/20 0.31
ICMT O60725 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
GSTP1 P09211 1/20 0.30
GSTM2 P28161 1/20 0.30

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
SCHEMBL972666 0.87 TSHR (0.41) ABL1RIN1TDP1TSHRALDH1A1
SCHEMBL972811 0.77 ALDH1A1 (0.40) HSD17B10ALDH1A1KMT2AHTTMAPT
SCHEMBL970233 0.75 ALDH1A1 (0.38) HSD17B10TSHRALDH1A1KMT2ALMNA
SCHEMBL1339650 0.73 ABL1 (0.47) ABL1RIN1TDP1HSD17B10TSHR
SCHEMBL8305183 0.70 ALDH1A1 (0.61) ABL1RIN1TDP1TSHRALDH1A1
SCHEMBL17726958 0.69 HRH2 (0.63) ABL1RIN1TDP1TSHRLMNA
SCHEMBL28912821 0.69 ABL1 (0.43) ABL1RIN1TDP1HSD17B10TSHR
SCHEMBL11357373 0.69 ABL1 (0.48) ABL1RIN1TDP1HSD17B10TSHR
SCHEMBL10744734 0.68 ABL1 (0.42) ABL1RIN1TDP1HSD17B10TSHR
SCHEMBL112204 0.68 TSHR (0.63) ABL1RIN1TDP1HSD17B10TSHR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947311-B 3-oxo-3, 9-dihydro-1H-benzopyrano [2,3-C ] pyrroles as glucokinase activators HOFFMAN-LA ROCHE LTD. (CH) 2015-11-25 CN disclosed
CN-102007118-B Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2014-12-31 CN disclosed
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-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127546-A1 PYRROLIDINONE 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 ABL1 3933/4885RIN1 2986/4885TDP1 2582/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ABL1 3768/4885RIN1 3251/4885TDP1 1793/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ABL1 3933/4885RIN1 2986/4885TDP1 2582/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ABL1 3470/4885RIN1 3044/4885TDP1 3385/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 ABL1 3283/4885RIN1 4124/4885TDP1 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.