SCHEMBL972839

SCHEMBL972839

CCOP(=O)(OCC)c1cn[c]s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
ADRA2A P08913 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
ACHE P22303 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
TP53 P04637 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2B P41595 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
SCHEMBL972736 0.72 TSHR (0.36) TSHRKDM4EADRA2ANISCH
SCHEMBL7872706 0.69 POLB (0.41) MEN1KMT2ATSHRPOLBKDM4E
SCHEMBL1107375 0.68 KDM4E (0.38) MEN1KMT2ATSHRPOLBKDM4E
SCHEMBL1107411 0.67 SMN1; SMN2 (0.43) TSHRPOLBKDM4ETDP1CA12
SCHEMBL12230156 0.66 TSHR (0.37) MEN1KMT2ATSHRPOLBKDM4E
SCHEMBL970351 0.66 TSHR (0.33) MEN1KMT2ATSHRPOLBTDP1
SCHEMBL6829825 0.65 TDP1 (0.49) MEN1KMT2ATSHRPOLBTDP1
SCHEMBL12094202 0.63 TDP1 (0.39) MEN1KMT2APOLBKDM4ETDP1
SCHEMBL9209356 0.63
SCHEMBL16626935 0.63 HTR2A (0.37) MEN1KMT2ATSHRPOLBKDM4E

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
CN-102007116-B Pyridazinone glucokinase activators HOFFMAN-LA ROCHE LTD. (CH) 2014-10-22 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
CN-102947311-A 3-oxo-3, 9-dihydro-1H-benzopyrano [2,3-C ] pyrroles as glucokinase activators HOFFMANN LA ROCHE 2013-02-27 CN 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
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US 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
CN-102007116-A Pyridazinone glucokinase activators HOFFMANN LA ROCHE 2011-04-06 CN disclosed
CN-102007118-A Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2011-04-06 CN 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 MEN1 2670/4885KMT2A 3422/4885TSHR 2581/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 MEN1 2997/4885KMT2A 2072/4885TSHR 3084/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD MEN1 2670/4885KMT2A 3422/4885TSHR 2581/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK MEN1 3170/4885KMT2A 3040/4885TSHR 2033/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 MEN1 2117/4885KMT2A 3535/4885TSHR 1543/4885

“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.