Sugi Predict

Sugi Predict / Compounds / SCHEMBL18096

SCHEMBL18096

SCHEMBL18096

CCCN(C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)nc2)CCN1c1ncc(C(O)(C(F)(F)F)C(F)(F)F)cn1)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GCKR Q14397 4/20 0.51
▸ GCK P35557 12/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ RORC P51449 2/20 0.39

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
SCHEMBL16797 0.91 GCKR (0.63) GCKRGCK
SCHEMBL18095 0.88 GCKR (0.53) GCKRGCKALDH1A1CYP2D6RORC
SCHEMBL17720 0.85 GCKR (0.50) GCKRGCKALDH1A1CYP2D6
SCHEMBL17402 0.82 GCK (0.45) GCKRGCK
SCHEMBL16721 0.81 GCKR (0.63) GCKRGCK
SCHEMBL17564 0.81 GCKR (0.41) GCKRGCK
SCHEMBL12473950 0.80 GCKR (0.38) GCKRGCKRORC
SCHEMBL12090229 0.79 ALDH1A1 (0.42) GCKRGCKALDH1A1CYP2D6RORC
SCHEMBL16796 0.79 GCKR (0.65) GCKRGCK
SCHEMBL16807 0.77 GCKR (0.81) 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 2 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
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 — — WO disclosed