SCHEMBL16491

SCHEMBL16491

C[C@@H]1COCCN1C[C@H]1CNCCN1c1ncc(C(OC(=O)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 7/20 0.39
GCKR Q14397 3/20 0.35
GCK P35557 1/20 0.35
XIAP P98170 6/20 0.34
KCNH2 Q12809 1/20 0.33
CNR2 P34972 1/20 0.32
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 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
SCHEMBL12078492 1.00 BIRC2 (0.39) BIRC2GCKRGCKXIAPKCNH2
SCHEMBL22712 0.87 GCKR (0.45) BIRC2GCKRGCKXIAPKCNH2
Trifluoroacetic Acid SCHEMBL16689 0.85 GCKR (0.42) BIRC2GCKRGCKXIAPKCNH2
Trifluoroacetic Acid SCHEMBL16690 0.85 GCKR (0.42) BIRC2GCKRGCKXIAPKCNH2
Trifluoroacetic Acid SCHEMBL12078489 0.85 GCKR (0.42) BIRC2GCKRGCKXIAPKCNH2
SCHEMBL18685 0.84 GCKR (0.43) BIRC2GCKRGCKXIAPKCNH2
SCHEMBL12089918 0.81 BIRC2 (0.40) BIRC2GCKRGCKXIAPKCNH2
SCHEMBL12079779 0.78 SCN9A (0.33)
Trifluoroacetic Acid SCHEMBL22713 0.73 GCKR (0.55) GCKRGCK
SCHEMBL17618 0.72 GCKR (0.57) GCKRGCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2609081-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES Amgen Inc. (US) 2013-07-03 EP disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 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 (1 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-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 BIRC2 2912/4885GCKR 1/4885GCK 2/4885

“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.