SCHEMBL973565

SCHEMBL973565

CCOC(=O)C(C)(C(=O)OCC)c1cs[c]n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36
PIN1 Q13526 1/20 0.35
MMP8 P22894 1/20 0.34
CNR2 P34972 3/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL13609550 0.73 TSHR (0.61) TSHRCYP1A2KMT2ASMN1; SMN2HPGD
SCHEMBL245602 0.71 ABCB11 (0.44) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL971766 0.70 MAPT (0.50) TSHRCYP1A2KMT2ASMN1; SMN2HPGD
SCHEMBL8327638 0.70 PIN1 (0.41) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL8332118 0.69 TP53 (0.39) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL971236 0.69
SCHEMBL8329339 0.69 LMNA (0.47) TSHRPIN1MMP8KMT2ASMN1; SMN2
SCHEMBL11679469 0.69 SMN1; SMN2 (0.43) TSHRABCB11CYP1A2CYP3A4HTR2A
SCHEMBL969213 0.68 MEN1 (0.51) TSHRCYP1A2CYP3A4KMT2ASMN1; SMN2
SCHEMBL28453206 0.67

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-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

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 2581/4885ABCB11 2026/4885CYP1A2 630/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 TSHR 3084/4885ABCB11 3324/4885CYP1A2 1710/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD TSHR 2581/4885ABCB11 2026/4885CYP1A2 630/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK TSHR 2033/4885ABCB11 2028/4885CYP1A2 651/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 TSHR 1543/4885ABCB11 353/4885CYP1A2 70/4885

“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.