SCHEMBL2656643

SCHEMBL2656643

COc1ccc(CCN(C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)C2CCC(C)CC2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.38
PPARG P37231 4/20 0.38
KMT2A Q03164 1/20 0.38
PPARD Q03181 3/20 0.37
ITK Q08881 10/20 0.36
JAK3 P52333 4/20 0.36
TXK P42681 5/20 0.35
BTK Q06187 4/20 0.35
CDK2 P24941 2/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
LTK P29376 1/20 0.35
PRKCI P41743 1/20 0.35
TEC P42680 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
SCHEMBL2656641 1.00 PPARA (0.38) PPARAPPARGKMT2APPARDITK
SCHEMBL2655875 0.94 KMT2A (0.43) PPARAPPARGKMT2APPARDCDK2
SCHEMBL2655879 0.94 KMT2A (0.43) PPARAPPARGKMT2APPARDCDK2
SCHEMBL2657826 0.92 PPARA (0.39) PPARAPPARGKMT2APPARDITK
SCHEMBL2657828 0.92 PPARA (0.39) PPARAPPARGKMT2APPARDITK
SCHEMBL2669507 0.90 KMT2A (0.41) PPARAPPARGKMT2APPARDCDK2
SCHEMBL2657215 0.90 KMT2A (0.41) PPARAPPARGKMT2APPARDCDK2
SCHEMBL2657217 0.90 KMT2A (0.41) PPARAPPARGKMT2APPARDCDK2
SCHEMBL2658974 0.88 PPARA (0.44) PPARAPPARGPPARDCDK2GSK3B
SCHEMBL2658972 0.88 PPARA (0.44) PPARAPPARGPPARDCDK2GSK3B

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 1441/4885PPARG 623/4885KMT2A 2713/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 PPARA 1441/4885PPARG 623/4885KMT2A 2713/4885

“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.