SCHEMBL22712

SCHEMBL22712

C[C@H]1COCCN1C[C@H]1CNCCN1c1ccc(C(OC(=O)C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCKR Q14397 3/20 0.45
GCK P35557 2/20 0.45
BIRC2 Q13490 7/20 0.34
PIK3CA P42336 1/20 0.32
XIAP P98170 6/20 0.31
ADRB1 P08588 1/20 0.31
PIK3C3 Q8NEB9 4/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KCNH2 Q12809 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
SCHEMBL12078492 0.87 BIRC2 (0.39) GCKRGCKBIRC2PIK3CAXIAP
SCHEMBL16491 0.87 BIRC2 (0.39) GCKRGCKBIRC2PIK3CAXIAP
Trifluoroacetic Acid SCHEMBL22713 0.84 GCKR (0.55) GCKRGCK
SCHEMBL17618 0.84 GCKR (0.57) GCKRGCK
SCHEMBL12089745 0.81 GCKR (0.47) GCKRGCKBIRC2ADRB1PIK3C3
Trifluoroacetic Acid SCHEMBL16690 0.73 GCKR (0.42) GCKRGCKBIRC2XIAPKCNH2
Trifluoroacetic Acid SCHEMBL12078489 0.73 GCKR (0.42) GCKRGCKBIRC2XIAPKCNH2
Trifluoroacetic Acid SCHEMBL16689 0.73 GCKR (0.42) GCKRGCKBIRC2XIAPKCNH2
SCHEMBL18685 0.72 GCKR (0.43) GCKRGCKBIRC2PIK3CAXIAP
SCHEMBL17713 0.69 GCKR (0.60) 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 GCKR 1/4885GCK 2/4885BIRC2 2912/4885

“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.