SCHEMBL9891688

SCHEMBL9891688

COC[C@H](C)Oc1cc(O[C@@H]2CCOC2)cc(C(C)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.43
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
F2 P00734 3/20 0.39
F10 P00742 3/20 0.39
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
F7 P08709 3/20 0.39
F3 P13726 3/20 0.39
PRSS3 P35030 3/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
P2RX3 P56373 6/20 0.39
P2RX2 Q9UBL9 6/20 0.39
GCK P35557 1/20 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
SCHEMBL9891689 1.00 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL1107677 0.91 GCK (0.44) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL1107663 0.91 GCK (0.44) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL1107678 0.90 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL1107674 0.90 PDE4D (0.43) PDE4DPDE4APDE4BPDE4CF2
SCHEMBL12742943 0.80 GCK (0.48) GCK
SCHEMBL12594260 0.76 GCK (0.47) GCK
SCHEMBL12742920 0.76 GCK (0.54) GCK
SCHEMBL1107566 0.76 ALDH1A1 (0.45) F2PRSS1P2RX3P2RX2GCK
SCHEMBL1107682 0.74 GCK (0.64) P2RX3P2RX2GCK

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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2011-05-19 US disclosed
US-7910747-B2 Phosphonate and phosphinate pyrazolylamide glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 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 (2 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-20110118211-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, MPO, GCK PDE4D 1606/4885PDE4A 1377/4885PDE4B 1253/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 PDE4D 1824/4885PDE4A 1590/4885PDE4B 1390/4885

“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.