SCHEMBL2655875

SCHEMBL2655875

COc1ccc(CCN(C(=O)Nc2ncc(SC(C)(C)C(=O)O)s2)[C@H]2CC[C@H](C)CC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
PPARA Q07869 6/20 0.38
PPARG P37231 4/20 0.38
PPARD Q03181 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
AOC3 Q16853 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL2655879 1.00 KMT2A (0.43) KMT2ACDK2KDRPPARAPPARG
SCHEMBL2669507 0.95 KMT2A (0.41) KMT2ACDK2KDRPPARAPPARG
SCHEMBL2657217 0.95 KMT2A (0.41) KMT2ACDK2KDRPPARAPPARG
SCHEMBL2657215 0.95 KMT2A (0.41) KMT2ACDK2KDRPPARAPPARG
SCHEMBL2656641 0.94 PPARA (0.38) KMT2ACDK2KDRPPARAPPARG
SCHEMBL2656643 0.94 PPARA (0.38) KMT2ACDK2KDRPPARAPPARG
SCHEMBL2657828 0.93 PPARA (0.39) KMT2ACDK2KDRPPARAPPARG
SCHEMBL2657826 0.93 PPARA (0.39) KMT2ACDK2KDRPPARAPPARG
SCHEMBL2658972 0.90 PPARA (0.44) CDK2PPARAPPARGPPARDALDH1A1
SCHEMBL2658974 0.90 PPARA (0.44) CDK2PPARAPPARGPPARDALDH1A1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099777-B1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2015-08-12 EP claimed
US-8318778-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-11-27 US claimed
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
EP-2099777-B1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK AS (DK) 2015-08-12 EP 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-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 KMT2A 2713/4885CDK2 381/4885KDR 3120/4885
US-20120165375-A1 Urea Glucokinase Activators GCK, GCKR, HK2 KMT2A 2713/4885CDK2 381/4885KDR 3120/4885

“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.