SCHEMBL970491

SCHEMBL970491

COC(=O)CCSc1cn[c]s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 3/20 0.35
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CCNE2 O96020 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
APP P05067 1/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 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
SCHEMBL970570 0.85 ALDH1A1 (0.45) TSHRHSD17B10KMT2AALDH1A1LMNA
SCHEMBL969935 0.81 APEX1 (0.44) TSHRHSD17B10KMT2AALDH1A1LMNA
SCHEMBL10594957 0.74 PTGS1 (0.40) PTGS1CXCR1CXCR2GSTP1GSTM2
SCHEMBL9627350 0.74 PTGS1 (0.40) PTGS1CXCR1CXCR2GSTP1GSTM2
SCHEMBL971410 0.73 CCNB2 (0.54) TSHRHSD17B10KMT2AALDH1A1LMNA
SCHEMBL16724105 0.72 SMN1; SMN2 (0.41) PTGS1CXCR1CXCR2GSTP1GSTM2
SCHEMBL970611 0.70 CA2 (0.38)
SCHEMBL16724117 0.69 CCNE1 (0.44) PTGS1CXCR1CXCR2HSD17B10CCNE2
SCHEMBL21963005 0.69 CCNE2 (0.44) PTGS1CXCR1CXCR2GSTP1GSTM2
SCHEMBL9097022 0.68 CA2 (0.45) PTGS1CXCR1CXCR2HSD17B10CCNE2

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 12 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
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-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP 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
WO-2009127544-A1 PYRIDAZINONE 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 PTGS1 1120/4885CXCR1 4487/4885CXCR2 4535/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 PTGS1 946/4885CXCR1 3801/4885CXCR2 3690/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD PTGS1 1120/4885CXCR1 4487/4885CXCR2 4535/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK PTGS1 1685/4885CXCR1 4675/4885CXCR2 4606/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 PTGS1 750/4885CXCR1 2889/4885CXCR2 1257/4885

“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.