SCHEMBL2655809

SCHEMBL2655809

COc1cccc(CCN(C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)C2CCC(C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.42
ROCK2 O75116 2/20 0.42
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
ATG4B Q9Y4P1 1/20 0.37
THRB P10828 1/20 0.37
SCD O00767 1/20 0.37
GRM2 Q14416 1/20 0.37
GRM3 Q14832 1/20 0.37
AOC3 Q16853 1/20 0.36
ITK Q08881 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35

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
SCHEMBL2655808 1.00 PPARA (0.42) PPARAROCK2PPARGPPARDATG4B
SCHEMBL2658041 0.96 PPARA (0.42) PPARAROCK2PPARGPPARDATG4B
SCHEMBL2658040 0.96 PPARA (0.42) PPARAROCK2PPARGPPARDATG4B
SCHEMBL2658974 0.91 PPARA (0.44) PPARAPPARGPPARDATG4BCCNE2
SCHEMBL2658972 0.91 PPARA (0.44) PPARAPPARGPPARDATG4BCCNE2
SCHEMBL2657543 0.90 CCNE1 (0.45) PPARAPPARGPPARDITKADORA2A
SCHEMBL2657541 0.90 CCNE1 (0.45) PPARAPPARGPPARDITKADORA2A
SCHEMBL2655330 0.89 PPARG (0.40) PPARAPPARGPPARDATG4BITK
SCHEMBL2657433 0.89 LMNA (0.39) PPARAPPARGATG4BAOC3ITK
SCHEMBL2657435 0.89 LMNA (0.39) PPARAPPARGATG4BAOC3ITK

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-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US claimed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 EP claimed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO claimed
US-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 US disclosed
US-8318778-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-11-27 US disclosed
US-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 US disclosed
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 US disclosed
EP-2099777-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-09-16 EP disclosed
WO-2008084044-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 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 (2 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-20100041711-A1 Urea Glucokinase Activators GCK, GCKR, HK2 PPARA 1441/4885ROCK2 2951/4885PPARG 623/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 PPARA 1441/4885ROCK2 2951/4885PPARG 623/4885

“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.