SCHEMBL2175603

SCHEMBL2175603

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.47
HSD17B10 Q99714 1/20 0.45
RARA P10276 1/20 0.44
RARB P10826 1/20 0.44
GRM5 P41594 2/20 0.43
LMNA P02545 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
RARG P13631 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
XDH P47989 1/20 0.42
GFER P55789 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
SCHEMBL1107633 0.97 GCK (0.50) GCKRARARARBGRM5CA12
SCHEMBL2178326 0.94 GCK (0.52) GCKRARARARBRARG
SCHEMBL1107705 0.92 GCK (0.48) GCKRARARARBCA1CA2
SCHEMBL1107701 0.92 GCK (0.56) GCKRARARARBGRM5RARG
SCHEMBL320646 0.91 CA12 (0.54) GCKRARARARBGRM5LMNA
SCHEMBL2088534 0.91 CA12 (0.54) GCKRARARARBGRM5LMNA
SCHEMBL1426494 0.91 CA12 (0.54) GCKRARARARBGRM5LMNA
SCHEMBL2176465 0.88 GCK (0.44) GCKRARARARBGRM5
SCHEMBL2175842 0.87 GCK (0.43) GCKRARARARBGRM5
SCHEMBL1107687 0.86 SMN1; SMN2 (0.49) GCKKDM4EPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 GCK 1/4885HSD17B10 556/4885RARA 3832/4885

“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.