SCHEMBL2175601

SCHEMBL2175601

CCOC(=O)c1cc(O[C@@H](C)COC)cc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GCK P35557 15/20 0.47
RARA P10276 1/20 0.43
RARB P10826 1/20 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 0.40

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
SCHEMBL2178326 0.87 GCK (0.52) GCKRARARARBRARG
SCHEMBL1107734 0.85 GCK (0.57) GCKRARARARBRARG
SCHEMBL3855078 0.84 CYP2C9 (0.54) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL12408474 0.83 GCK (0.50) GCKRARARARBRARG
SCHEMBL3605375 0.82 GCK (0.49) GCKRARARARBRARG
SCHEMBL1107709 0.81 GCK (0.55) GCKRARARARBRARG
SCHEMBL1107706 0.81 GCK (0.63) GCKRARARARBRARG
SCHEMBL2175603 0.81 GCK (0.47) GCKRARARARBCA12CA1
SCHEMBL3855641 0.80 CYP2C9 (0.53) CYP2C9CYP2C19CA12CA1CA2
SCHEMBL2654383 0.80 GCK (0.50) GCKRARARARBCA12CA1

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 CYP2C9 2499/4885CYP2C19 2244/4885GCK 1/4885

“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.