SCHEMBL1864679

SCHEMBL1864679

COC1(OC)CC(CC(C(=O)N(C)C(C)C(O)c2ccccc2)c2ccc(SC)c(Cl)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
NPY5R Q15761 12/20 0.36
NPY2R P49146 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KCNH2 Q12809 1/20 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
SCHEMBL1864681 1.00 GAA (0.37) GAANPY5RNPY2RCYP3A4CYP2D6
SCHEMBL2644230 0.88 GAA (0.39) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL1858509 0.88 GAA (0.39) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL2644229 0.88 GAA (0.39) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL1858506 0.88 GAA (0.39) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL1858505 0.88 GAA (0.39) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL2642053 0.82 GAA (0.35) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL2642049 0.82 GAA (0.35) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL2642054 0.82 GAA (0.38) GAANPY5RCYP3A4CYP2D6SLC6A2
SCHEMBL2642050 0.82 GAA (0.38) GAANPY5RCYP3A4CYP2D6SLC6A2

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
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 US 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-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 GAA 150/4885NPY5R 2934/4885NPY2R 3192/4885

“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.