SCHEMBL1633254

SCHEMBL1633254

CC(C)(C)C(=O)OC[C@@H]1CSC(c2cc3cccc(NC4CCN(S(C)(=O)=O)C4)c3[nH]2)=N1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
MAP3K9 P80192 2/20 0.33
MAP3K11 Q16584 2/20 0.33
JAK2 O60674 3/20 0.33
JAK3 P52333 3/20 0.33
AXL P30530 3/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
TNF P01375 1/20 0.32
IRAK1 P51617 1/20 0.32
PTK2 Q05397 1/20 0.32
NSD2 O96028 1/20 0.32
EIF2AK4 Q9P2K8 1/20 0.31
IDH1 O75874 1/20 0.31
BTK Q06187 1/20 0.31
PTGER3 P43115 1/20 0.31
IDO1 P14902 1/20 0.31
ROCK2 O75116 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
SCHEMBL13103261 0.87 BRD4 (0.31)
SCHEMBL1277527 0.87 BRD4 (0.38) MAPK3IRAK4MAP3K9MAP3K11JAK2
SCHEMBL1277526 0.87 BRD4 (0.38) MAPK3IRAK4MAP3K9MAP3K11JAK2
SCHEMBL1277522 0.87 BRD4 (0.38) MAPK3IRAK4MAP3K9MAP3K11JAK2
SCHEMBL1633353 0.86 PIM1 (0.42) IDH1BTK
SCHEMBL1277566 0.86 BRD4 (0.37)
SCHEMBL1277565 0.86 BRD4 (0.37)
SCHEMBL1278173 0.84 BRD4 (0.35) MAPK3IRAK4
SCHEMBL1277688 0.76 KDM4E (0.38)
SCHEMBL1277687 0.76 KDM4E (0.38)

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-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
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 MAPK3 1299/4885IRAK4 2994/4885MAP3K9 248/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 MAPK3 1079/4885IRAK4 2673/4885MAP3K9 193/4885

“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.