SCHEMBL973472

SCHEMBL973472

COC(=O)C1(NS(=O)(=O)c2cn[c]s2)CCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 1/20 0.32
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
PLAU P00749 1/20 0.32
PLAT P00750 1/20 0.32
SLC8A1 P32418 1/20 0.30

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
SCHEMBL969319 0.82 PLAU (0.40) PLAUPLATSLC8A1
SCHEMBL2649237 0.76 ADORA3 (0.36) NPSR1CNR2MMP1MMP13PLAU
SCHEMBL16004927 0.69 CCR5 (0.49) CNR2
SCHEMBL27618200 0.67 MMP1 (0.46) NPSR1MMP1MMP13
SCHEMBL2333945 0.66 ALDH1A1 (0.39) NPSR1CNR2MMP1MMP13
SCHEMBL9988291 0.64 NPSR1 (0.32) NPSR1
SCHEMBL643982 0.64 MMP1 (0.55) MMP1MMP13
SCHEMBL14676239 0.63 RECQL (0.47) NPSR1CNR2MMP1MMP13
SCHEMBL12418064 0.62 MMP1 (0.47) NPSR1MMP1MMP13
SCHEMBL14680667 0.62 CTSS (0.40) NPSR1CNR2MMP1MMP13

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 9 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
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
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

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 NPSR1 4382/4885CNR2 3708/4885MMP1 1642/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 NPSR1 3628/4885CNR2 4299/4885MMP1 1272/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD NPSR1 4382/4885CNR2 3708/4885MMP1 1642/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK NPSR1 4397/4885CNR2 3936/4885MMP1 1682/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 NPSR1 1900/4885CNR2 262/4885MMP1 4051/4885

“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.