SCHEMBL971975

SCHEMBL971975

Cc1n[c]sc1C(=O)NCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
CNR1 P21554 1/20 0.35
STAT3 P40763 2/20 0.35
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
KMT2A Q03164 1/20 0.33
ACR P10323 1/20 0.33
HIF1A Q16665 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2440938 0.85 EGLN2 (0.37) KDM4EL3MBTL1TSHRHPGDNPC1
SCHEMBL2443061 0.81 EGLN1 (0.44) KDM4EL3MBTL1HPGDNPC1KMT2A
SCHEMBL2445520 0.77 MLYCD (0.44) ALDH1A1KDM4EHPGDNPC1HIF1A
SCHEMBL2440626 0.72
SCHEMBL9328693 0.71 RAB9A (0.50) ALDH1A1KDM4EL3MBTL1HPGDNPC1
SCHEMBL969507 0.70
SCHEMBL2439054 0.70 KDM4C (0.40) ALDH1A1MEN1KMT2A
SCHEMBL2447674 0.69 MAPT (0.41) ALDH1A1HSD17B10TSHRHPGDNPC1
SCHEMBL3001665 0.69 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10L3MBTL1HPGD
SCHEMBL2439074 0.69 KDM4E (0.32) ALDH1A1KDM4ETSHRHPGD

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 MMP13 2485/4885ALDH1A1 902/4885KDM4E 2655/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 MMP13 2017/4885ALDH1A1 1129/4885KDM4E 1156/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD MMP13 2485/4885ALDH1A1 902/4885KDM4E 2655/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK MMP13 2334/4885ALDH1A1 1059/4885KDM4E 2578/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 MMP13 2707/4885ALDH1A1 545/4885KDM4E 2999/4885

“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.