SCHEMBL1634291

SCHEMBL1634291

CC(C)(C)C(=O)OC[C@@H]1CSC(c2cc3cc(Cl)cc(N)c3[nH]2)=N1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.36
NPC1 O15118 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL1277921 0.89 NPC1 (0.30) NPC1RAB9AL3MBTL1
SCHEMBL1277920 0.89 NPC1 (0.30) NPC1RAB9AL3MBTL1
SCHEMBL1277818 0.88 KDM4E (0.31)
SCHEMBL1277815 0.88 KDM4E (0.31)
SCHEMBL1277688 0.85 KDM4E (0.38) HRH4
SCHEMBL1277687 0.85 KDM4E (0.38) HRH4
SCHEMBL1278186 0.81 HRH4 (0.38) HRH4
SCHEMBL1278189 0.81 HRH4 (0.38) HRH4
SCHEMBL1278018 0.80 HRH4 (0.35) HRH4NPC1RAB9A
SCHEMBL1278015 0.80 HRH4 (0.35) HRH4NPC1RAB9A

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 7 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
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 HRH4 4816/4885NPC1 2785/4885CYP1A2 2181/4885
US-20100267708-A1 GLUCOKINASE ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE INGREDIENT GCK, GCKR, HK1 HRH4 4799/4885NPC1 2892/4885CYP1A2 1657/4885

“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.