SCHEMBL1278173

SCHEMBL1278173

CC(C)(C)C(=O)OC[C@@H]1CSC(c2cc3cccc(NC4CCOCC4)c3[nH]2)=N1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.35
ATAD2 Q6PL18 3/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
CARM1 Q86X55 1/20 0.33
PIM1 P11309 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
MAPK1 P28482 3/20 0.32
MAPK3 P27361 2/20 0.32
IRAK4 Q9NWZ3 8/20 0.31
CXCR2 P25025 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL1277565 0.93 BRD4 (0.37) BRD4ATAD2KDM4EALDH1A1GLA
SCHEMBL1277566 0.93 BRD4 (0.37) BRD4ATAD2KDM4EALDH1A1GLA
SCHEMBL13103261 0.84 BRD4 (0.31) BRD4ATAD2KDM4EALDH1A1GLA
SCHEMBL1277476 0.84 BRD4 (0.38) BRD4ATAD2CARM1PIM1PIM2
SCHEMBL1277472 0.84 BRD4 (0.38) BRD4ATAD2CARM1PIM1PIM2
SCHEMBL1277730 0.84 BRD4 (0.37) BRD4ATAD2CARM1PIM1PIM2
SCHEMBL1277725 0.84 BRD4 (0.37) BRD4ATAD2CARM1PIM1PIM2
SCHEMBL1278198 0.84 BRD4 (0.37) BRD4ATAD2CARM1PIM1PIM2
SCHEMBL1277593 0.83 BRD4 (0.41) BRD4ATAD2CARM1PIM1PIM2
SCHEMBL1277596 0.83 BRD4 (0.41) BRD4ATAD2CARM1PIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309586-B2 Glucokinase activators and pharmaceutical compositions containing the same as an active ingredient LG LIFE SCIENCES LTD. (KR) 2012-11-13 US disclosed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 US disclosed
US-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG CHEM, LTD. (KR) 2012-04-12 US disclosed
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 US disclosed
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2010-10-21 US disclosed
WO-2009082152-A2 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT LG LIFE SCIENCES LTD. (KR) 2009-07-02 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-20120088760-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCKR, GCK, GALK1 BRD4 4127/4885ATAD2 2604/4885KDM4E 1934/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 BRD4 3674/4885ATAD2 2052/4885KDM4E 1864/4885

“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.