SCHEMBL1241817

SCHEMBL1241817

CCOC(=O)CCSc1nnc(N)s1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
KDM4E B2RXH2 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
TSHR P16473 1/20 0.54
USP2 O75604 1/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 3/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
APEX1 P27695 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL1000334 0.92 ALDH1A1 (0.70) ALDH1A1KDM4ETDP1RAB9ANPC1
SCHEMBL999575 0.85 ALDH1A1 (1.00) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL17446991 0.85 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL16886212 0.84 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL16886213 0.82 ALDH1A1 (0.56) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL17548960 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL999232 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1RAB9ANPC1
SCHEMBL4678070 0.77 ALDH1A1 (0.74) ALDH1A1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL1001621 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ETDP1RAB9ANPC1
SCHEMBL17445593 0.75 ALDH1A1 (0.43) ALDH1A1KDM4ETDP1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586614-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2013-11-19 US disclosed
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP disclosed
EP-2377856-A1 Urea glucokinase activators NOVO NORDISK A/S (DK) 2011-10-19 EP disclosed
US-20110077234-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2011-03-31 US disclosed
US-7884210-B2 {2-[3-(2-Cyclohex-1-enyl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; for treatment of type 2 diabetes NOVO NORDISK A/S (DK) 2011-02-08 US disclosed
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
EP-1904467-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP disclosed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 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-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ALDH1A1 1040/4885KDM4E 637/4885TDP1 3188/4885
US-20110077234-A1 Urea Glucokinase Activators GCK, GCKR, HK2 ALDH1A1 1040/4885KDM4E 637/4885TDP1 3188/4885

“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.