SCHEMBL18685

SCHEMBL18685

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCKR Q14397 4/20 0.43
BIRC2 Q13490 6/20 0.40
GCK P35557 1/20 0.38
CNR2 P34972 1/20 0.35
XIAP P98170 4/20 0.34
KCNH2 Q12809 1/20 0.33
MTOR P42345 5/20 0.33
PIK3CA P42336 3/20 0.32
MLYCD O95822 3/20 0.32
PIK3R1 P27986 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL16689 0.95 GCKR (0.42) GCKRBIRC2GCKCNR2XIAP
Trifluoroacetic Acid SCHEMBL12078489 0.95 GCKR (0.42) GCKRBIRC2GCKCNR2XIAP
Trifluoroacetic Acid SCHEMBL16690 0.95 GCKR (0.42) GCKRBIRC2GCKCNR2XIAP
SCHEMBL12089918 0.89 BIRC2 (0.40) GCKRBIRC2GCKCNR2XIAP
SCHEMBL17618 0.85 GCKR (0.57) GCKRGCKMLYCD
SCHEMBL12078492 0.84 BIRC2 (0.39) GCKRBIRC2GCKCNR2XIAP
SCHEMBL16491 0.84 BIRC2 (0.39) GCKRBIRC2GCKCNR2XIAP
Trifluoroacetic Acid SCHEMBL22713 0.81 GCKR (0.55) GCKRGCKMLYCD
SCHEMBL17413 0.79 ROCK2 (0.40) GCKRKCNH2
SCHEMBL17282 0.78 HTR2A (0.30) GCK

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 5 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
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 GCKR 1/4885BIRC2 2912/4885GCK 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.