SCHEMBL972666

SCHEMBL972666

CCOC(=O)CCSCc1cs[c]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALDH1A1 P00352 5/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
ABL1 P00519 3/20 0.38
RIN1 Q13671 3/20 0.38
MAPT P10636 4/20 0.36
HPGD P15428 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
KAT2B Q92831 1/20 0.35
GAA P10253 2/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NPC1 O15118 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
SCHEMBL972846 0.87 ABL1 (0.45) TSHRALDH1A1LMNAHTTTDP1
SCHEMBL8086941 0.81 CYP4F2 (0.45) ALDH1A1LMNAKDM4EMAPTL3MBTL1
SCHEMBL969213 0.77 MEN1 (0.51) TSHRALDH1A1LMNAHTTMAPT
SCHEMBL1261680 0.76 ALDH1A1 (0.48) TSHRALDH1A1LMNAHTTKDM4E
SCHEMBL970233 0.74 ALDH1A1 (0.38) TSHRALDH1A1LMNAHTTKDM4E
SCHEMBL111821 0.71 GAA (0.52) TSHRALDH1A1LMNAHTTKDM4E
SCHEMBL8897464 0.69 CYP2C19 (0.62) ALDH1A1LMNAKDM4ETDP1MAPT
SCHEMBL2088182 0.68 CYP4F2 (0.47) TSHRALDH1A1LMNAHTTKDM4E
SCHEMBL8506009 0.68 CYP1A2 (0.48) TSHRALDH1A1LMNAHTTKDM4E
SCHEMBL15948648 0.68 CYP1A2 (0.48) TSHRALDH1A1LMNAHTTKDM4E

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
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
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 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-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 TSHR 2581/4885ALDH1A1 902/4885LMNA 3678/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 TSHR 3084/4885ALDH1A1 1129/4885LMNA 3936/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD TSHR 2581/4885ALDH1A1 902/4885LMNA 3678/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK TSHR 2033/4885ALDH1A1 1059/4885LMNA 3588/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 TSHR 1543/4885ALDH1A1 545/4885LMNA 2712/4885

“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.