SCHEMBL970233

SCHEMBL970233

O=C(O)CSCc1cs[c]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
HTT P42858 2/20 0.36
CYP1A2 P05177 3/20 0.35
TSHR P16473 1/20 0.32
MAPK1 P28482 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL753480 0.76
SCHEMBL972846 0.75 ABL1 (0.45) ALDH1A1POLBHPGDSMN1; SMN2HTT
SCHEMBL972666 0.74 TSHR (0.41) ALDH1A1KDM4EPOLBHPGDHTT
SCHEMBL972476 0.71 KDM4E (0.40) ALDH1A1KDM4ECYP1A2KMT2AHSD17B10
SCHEMBL972811 0.67 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL27837779 0.66
SCHEMBL5169135 0.63 CYP1A2 (0.73) ALDH1A1SMN1; SMN2HTTCYP1A2TSHR
SCHEMBL11361944 0.62 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL9143080 0.62 SMN1; SMN2 (0.51) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL13269888 0.61 CYP1A2 (0.47) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2

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
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 ALDH1A1 902/4885KDM4E 2655/4885POLB 1984/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885KDM4E 1156/4885POLB 1255/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885KDM4E 2655/4885POLB 1984/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885KDM4E 2578/4885POLB 2078/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 ALDH1A1 545/4885KDM4E 2999/4885POLB 3428/4885

“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.