SCHEMBL1859968

SCHEMBL1859968

CC(C)Sc1ccc(CC(=O)N(C)[C@H](C)[C@H](O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 11/20 0.68
GAA P10253 1/20 0.58
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
AOC3 Q16853 1/20 0.42
OPRK1 P41145 3/20 0.42
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPY2R P49146 1/20 0.42

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
SCHEMBL1859971 1.00 NPY5R (0.68) NPY5RGAAKDM4EALDH1A1AOC3
SCHEMBL2645649 0.89 NPY5R (0.70) NPY5RGAAKDM4EALDH1A1AOC3
SCHEMBL1107401 0.89 NPY5R (0.70) NPY5RGAAKDM4EALDH1A1AOC3
SCHEMBL8153290 0.87 NPY5R (0.78) NPY5RGAAKDM4EALDH1A1AOC3
SCHEMBL2652609 0.83 NPY5R (0.63) NPY5RGAAKDM4EALDH1A1OPRK1
SCHEMBL1861999 0.83 NPY5R (0.63) NPY5RGAAKDM4EALDH1A1OPRK1
SCHEMBL1107442 0.83 NPY5R (0.63) NPY5RGAAKDM4EALDH1A1OPRK1
SCHEMBL1394938 0.83 NPY5R (0.73) NPY5RGAAKDM4EALDH1A1AOC3
SCHEMBL1394939 0.83 NPY5R (0.73) NPY5RGAAKDM4EALDH1A1AOC3
SCHEMBL27522050 0.80 NPY5R (0.68) NPY5RGAAKDM4EALDH1A1OPRK1

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 NPY5R 2934/4885GAA 150/4885KDM4E 4350/4885

“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.