SCHEMBL16616

SCHEMBL16616

C[C@H]1COCCN1C(=O)[C@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
VNN1 O95497 2/20 0.35
FKBP1A P62942 1/20 0.33
PIK3C3 Q8NEB9 2/20 0.33
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KCNK3 O14649 2/20 0.31
CNR2 P34972 2/20 0.31
GRIN2B Q13224 1/20 0.31
PRMT5 O14744 2/20 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
SCHEMBL30172573 0.79 ALDH1A1 (0.40) CA12CA1CA9
SCHEMBL21805912 0.78 CA12 (0.56) CA12CA1CA2CA9VNN1
SCHEMBL3991346 0.78 CA12 (0.56) CA12CA1CA2CA9VNN1
SCHEMBL14645780 0.78 CA12 (0.56) CA12CA1CA2CA9VNN1
SCHEMBL18047 0.77 USP2 (0.46) PIK3CA
Hydrochloric Acid SCHEMBL29178585 0.77 CA12 (0.55) CA12CA1CA2CA9VNN1
Hydrochloric Acid SCHEMBL29178589 0.77 CA12 (0.55) CA12CA1CA2CA9VNN1
Hydrochloric Acid SCHEMBL29178584 0.77 CA12 (0.55) CA12CA1CA2CA9VNN1
SCHEMBL12078436 0.74 AGTR2 (0.30)
SCHEMBL12078630 0.73 GCKR (0.34) CA12CA1CA2CA9

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 CA12 3038/4885CA1 4137/4885CA2 632/4885

“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.