SCHEMBL970781

SCHEMBL970781

CCOC(=O)CCSc1s[c]nc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 9/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.36
BRCA1 P38398 1/20 0.36
HSD17B10 Q99714 4/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL970546 0.73 ALDH1A1 (0.52) KDM4EPOLBALDH1A1TDP1HPGD
SCHEMBL970570 0.72 ALDH1A1 (0.45) KDM4EPOLBALDH1A1TDP1HPGD
SCHEMBL1001621 0.72 ALDH1A1 (0.48) KDM4EPOLBALDH1A1TDP1HPGD
SCHEMBL9627261 0.70 KDM4E (0.43) KDM4EPOLBALDH1A1TDP1HPGD
SCHEMBL7866035 0.69 ALDH1A1 (0.44) KDM4EPOLBALDH1A1TDP1HPGD
SCHEMBL18862175 0.68 ALDH1A1 (0.49) KDM4EPOLBALDH1A1TDP1HPGD
SCHEMBL7344673 0.67 ALDH1A1 (0.61) KDM4EPOLBALDH1A1TDP1HPGD
SCHEMBL2440590 0.67 ALDH1A1 (0.36) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL7867194 0.67 TSHR (0.43) KDM4EPOLBALDH1A1TDP1HPGD
SCHEMBL31010032 0.66 HPGD (0.50) KDM4EPOLBALDH1A1TDP1HPGD

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
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-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US 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 KDM4E 2655/4885POLB 1984/4885ALDH1A1 902/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 KDM4E 1156/4885POLB 1255/4885ALDH1A1 1129/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD KDM4E 2655/4885POLB 1984/4885ALDH1A1 902/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK KDM4E 2578/4885POLB 2078/4885ALDH1A1 1059/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 KDM4E 2999/4885POLB 3428/4885ALDH1A1 545/4885

“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.