SCHEMBL973701

SCHEMBL973701

CCOC(=O)CSc1nn[c]s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
HSD17B10 Q99714 4/20 0.50
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 5/20 0.49
ESR1 P03372 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 4/20 0.43
SHMT2 P34897 1/20 0.43
PRNP P04156 1/20 0.43
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42

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 0.85 ALDH1A1 (0.52) ALDH1A1HSD17B10GAAL3MBTL1KDM4E
SCHEMBL11685860 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10GAAL3MBTL1APOBEC3G
SCHEMBL11683972 0.78 GAA (0.41) ALDH1A1HSD17B10GAAL3MBTL1KDM4E
SCHEMBL10420684 0.76 GAA (0.49) ALDH1A1HSD17B10GAAL3MBTL1KDM4E
SCHEMBL8957668 0.75 ALDH1A1 (0.68) ALDH1A1HSD17B10GAAL3MBTL1KDM4E
SCHEMBL970396 0.72 SMN1; SMN2 (0.47) ALDH1A1HSD17B10GAARAB9AHPGD
SCHEMBL10355129 0.72 ALDH1A1 (0.56) ALDH1A1HSD17B10GAAL3MBTL1KDM4E
SCHEMBL8957661 0.72 ALDH1A1 (0.68) ALDH1A1HSD17B10GAAL3MBTL1KDM4E
SCHEMBL999575 0.72 ALDH1A1 (1.00) ALDH1A1HSD17B10GAAL3MBTL1KDM4E
SCHEMBL465879 0.72

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 14 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-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
US-4271071-A MONOAZO DYES FOR SYNTHETIC FIBERS EASTMAN KODAK COMPANY (US) 1981-06-02 US disclosed
US-4247458-A COUPLING DIAZONIUM SALT WITH DISPERSE DYE COUPLER WITH DISPLACEABLE GROUP OTHER THAN HYDROGEN EASTMAN KODAK COMPANY (US) 1981-01-27 US disclosed
US-4012379-A 7-Acetoacetamidocephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JA) 1977-03-15 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 902/4885HSD17B10 837/4885GAA 119/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885HSD17B10 1130/4885GAA 84/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885HSD17B10 837/4885GAA 119/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885HSD17B10 826/4885GAA 83/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 ALDH1A1 545/4885HSD17B10 81/4885GAA 219/4885

“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.