SCHEMBL1107566

SCHEMBL1107566

CC(=O)c1cc(OC(C)C)cc(OC2COC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
KLKB1 P03952 1/20 0.40
PRSS1 P07477 1/20 0.40
GCK P35557 1/20 0.40
ACACB O00763 3/20 0.39
P2RX3 P56373 10/20 0.38
P2RX2 Q9UBL9 10/20 0.38
GRM5 P41594 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL12594040 0.89 GRM5 (0.41) ALDH1A1ACACBP2RX3P2RX2GRM5
SCHEMBL2668774 0.89 GCK (0.47) ALDH1A1F2PLGPLAUPLAT
SCHEMBL10329780 0.81 ALDH1A1 (0.55) ALDH1A1F2PLGPLAUPLAT
SCHEMBL23396103 0.79 GRM5 (0.38) ACACBP2RX3P2RX2GRM5
SCHEMBL1140554 0.76 KDM4E (0.48) ALDH1A1F2PLGPLAUPLAT
SCHEMBL9891688 0.76 PDE4D (0.43) F2PRSS1GCKP2RX3P2RX2
SCHEMBL9891689 0.76 PDE4D (0.43) F2PRSS1GCKP2RX3P2RX2
SCHEMBL1107609 0.75 ALDH1A1 (0.42) ALDH1A1P2RX3P2RX2GRM5KMT2A
SCHEMBL31130428 0.75 KMT2A (0.48) ALDH1A1KMT2AMEN1
SCHEMBL9891684 0.73 GPR119 (0.51) ALDH1A1P2RX3P2RX2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 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
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 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 ALDH1A1 4045/4885F2 3834/4885PLG 2817/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 ALDH1A1 4620/4885F2 4018/4885PLG 2800/4885

“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.