SCHEMBL2656463

SCHEMBL2656463

COc1ccc(CCCCN(C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)[C@H]2CC[C@H](C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.45
PPARG P37231 5/20 0.39
PPARD Q03181 4/20 0.39
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
USP1 O94782 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2656466 1.00 PPARA (0.45) PPARAPPARGPPARDLMNATP53
SCHEMBL2658972 0.95 PPARA (0.44) PPARAPPARGPPARDLMNATP53
SCHEMBL2658974 0.95 PPARA (0.44) PPARAPPARGPPARDLMNATP53
SCHEMBL2657581 0.91 PPARA (0.37) PPARAPPARGPPARDLMNATP53
SCHEMBL2657577 0.91 PPARA (0.37) PPARAPPARGPPARDLMNATP53
SCHEMBL2658349 0.91 CCNE1 (0.42) PPARAPPARGPPARDLMNATP53
SCHEMBL2658347 0.91 CCNE1 (0.42) PPARAPPARGPPARDLMNATP53
SCHEMBL2669508 0.91 PPARA (0.40) PPARAPPARGPPARDLMNATP53
SCHEMBL3204512 0.91 PPARA (0.40) PPARAPPARGPPARDLMNATP53
SCHEMBL2669507 0.90 KMT2A (0.41) PPARAPPARGPPARDLMNAMAPT

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 15 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-8362049-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-01-29 US disclosed
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-20120165375-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2012-06-28 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
US-20100041711-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-02-18 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 1441/4885PPARG 623/4885PPARD 1230/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 PPARA 1441/4885PPARG 623/4885PPARD 1230/4885

“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.