SCHEMBL972476

SCHEMBL972476

O=C(O)CSc1cs[c]n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GAA P10253 2/20 0.39
FFAR1 O14842 1/20 0.38
CXCL12 P48061 1/20 0.38
APEX1 P27695 1/20 0.36
PHGDH O43175 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.34
NOTUM Q6P988 1/20 0.33
ALOX15 P16050 1/20 0.33
CDC25B P30305 1/20 0.33

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
SCHEMBL970233 0.71 ALDH1A1 (0.38) KDM4ECYP1A2HSD17B10KMT2AALDH1A1
SCHEMBL9019297 0.68 KDM4E (0.41) KDM4EPRNPRXFP1GAAFFAR1
SCHEMBL753480 0.67
SCHEMBL10420684 0.64 GAA (0.49) KDM4EPRNPRXFP1GAAFFAR1
SCHEMBL8628207 0.63 POLB (0.42) KDM4EPRNPRXFP1GAAAPEX1
SCHEMBL8629920 0.62 KDM4E (0.42) KDM4EPRNPRXFP1GAAFFAR1
SCHEMBL7218149 0.62 FFAR1 (0.55) GAAFFAR1CXCL12APEX1PHGDH
SCHEMBL29987569 0.60 ALDH1A1 (0.69) KDM4EGAAHSD17B10KMT2AALDH1A1
SCHEMBL437152 0.60 ALDH1A1 (0.69) KDM4EGAAHSD17B10KMT2AALDH1A1
SCHEMBL9706741 0.59 KDM4E (0.47) KDM4EPRNPRXFP1GAAFFAR1

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 13 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
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
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 KDM4E 2655/4885PRNP 1535/4885RXFP1 2934/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 KDM4E 1156/4885PRNP 1345/4885RXFP1 2775/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD KDM4E 2655/4885PRNP 1535/4885RXFP1 2934/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK KDM4E 2578/4885PRNP 1793/4885RXFP1 2957/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 KDM4E 2999/4885PRNP 4808/4885RXFP1 3736/4885

“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.