SCHEMBL969319

SCHEMBL969319

CCOC(=O)C1(NS(=O)(=O)c2cn[c]s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SLC8A1 P32418 1/20 0.33
GABRA1 P14867 1/20 0.33
LATS1 O95835 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
CDK1 P06493 1/20 0.30
CDK4 P11802 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 1/20 0.30
FPR2 P25090 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
SCHEMBL973472 0.82 NPSR1 (0.33) PLAUPLATSLC8A1
SCHEMBL2648632 0.77 PLAU (0.43) PLAUPLATPSEN1PSEN2APH1B
SCHEMBL20839223 0.70 PLAU (0.38) PLAUPLATTSHRFPR2SCN9A
SCHEMBL16422646 0.69 HPGD (0.36) PLAUPLAT
SCHEMBL16422587 0.69 HPGD (0.36) PLAUPLATLATS1CYP3A4CYP2C9
SCHEMBL969052 0.68 ALDH1A1 (0.31) CDK1CDK4CCNE1CDK2
SCHEMBL9987522 0.66 MAPK1 (0.31)
SCHEMBL6796931 0.65 MMP1 (0.58) PLAUPLAT
SCHEMBL6801915 0.64 MMP1 (0.59) PLAUPLAT
SCHEMBL16004927 0.62 CCR5 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A

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-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 PLAU 376/4885PLAT 906/4885PSEN1 1752/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 PLAU 559/4885PLAT 951/4885PSEN1 1829/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD PLAU 376/4885PLAT 906/4885PSEN1 1752/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK PLAU 508/4885PLAT 1212/4885PSEN1 2394/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 PLAU 2996/4885PLAT 2150/4885PSEN1 2241/4885

“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.