SCHEMBL1857950

SCHEMBL1857950

C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(SC2CCCC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.52
OPRD1 P41143 6/20 0.48
OPRM1 P35372 2/20 0.48
OPRK1 P41145 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
UTS2R Q9UKP6 1/20 0.48
GAA P10253 1/20 0.46
CCR5 P51681 1/20 0.44

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
SCHEMBL1857949 1.00 NPY5R (0.52) NPY5ROPRD1OPRM1OPRK1ALDH1A1
SCHEMBL2668153 0.96 NPY5R (0.53) NPY5ROPRD1OPRM1OPRK1ALDH1A1
SCHEMBL1867043 0.85 NPY5R (0.58) NPY5ROPRD1OPRM1OPRK1ALDH1A1
SCHEMBL1865463 0.85 NPY5R (0.58) NPY5ROPRD1OPRM1OPRK1ALDH1A1
SCHEMBL1865464 0.85 NPY5R (0.58) NPY5ROPRD1OPRM1OPRK1ALDH1A1
SCHEMBL14192005 0.81 NPY5R (0.65) NPY5ROPRD1OPRM1OPRK1ALDH1A1
SCHEMBL1862882 0.80 GAA (0.38) NPY5ROPRD1OPRM1OPRK1CYP3A4
SCHEMBL1862884 0.80 GAA (0.38) NPY5ROPRD1OPRM1OPRK1CYP3A4
SCHEMBL1862881 0.80 GAA (0.38) NPY5ROPRD1OPRM1OPRK1CYP3A4
SCHEMBL2652609 0.79 NPY5R (0.63) NPY5ROPRD1OPRM1OPRK1ALDH1A1

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-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
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 2934/4885OPRD1 4377/4885OPRM1 4789/4885

“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.