SCHEMBL18613

SCHEMBL18613

O=S(=O)(c1ccccc1)N1CCN(c2ccc(O)cc2)[C@@H](CC2CCOCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCKR Q14397 6/20 0.54
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38

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
SCHEMBL18264 1.00 GCKR (0.54) GCKRNPC1SMN1; SMN2LMNAHTT
SCHEMBL12089328 0.87 GCKR (0.63) GCKRNPC1SMN1; SMN2LMNA
SCHEMBL12089331 0.87 GCKR (0.63) GCKRNPC1SMN1; SMN2LMNA
SCHEMBL12089329 0.87 GCKR (0.63) GCKRNPC1SMN1; SMN2LMNA
SCHEMBL12078780 0.84 GCKR (0.77) GCKR
SCHEMBL15752 0.84 GCKR (0.77) GCKR
SCHEMBL18385 0.84 GCKR (0.77) GCKR
SCHEMBL17391 0.84 GCKR (0.77) GCKR
SCHEMBL18513 0.84 GCKR (0.77) GCKR
SCHEMBL12078987 0.84 GCKR (0.77) GCKR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885NPC1 3103/4885SMN1; SMN2 4413/4885

“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.