SCHEMBL9891687

SCHEMBL9891687

COC[C@H](C)Oc1cc(OCCc2ccc(F)cc2)cc(C(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.53
MAOB P27338 2/20 0.45
RARG P13631 1/20 0.45
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL1107714 0.91 GCK (0.61) GCKRARGRARARARB
SCHEMBL1107570 0.90 GCK (0.55) GCKRARGRARARARB
SCHEMBL12742914 0.89 PTGES (0.52) GCKMAOBRARARARBPTGES
SCHEMBL12742855 0.89 MAOB (0.49) GCKMAOBRARGRARARARB
SCHEMBL12742848 0.88 GCK (0.42) GCKRARGRARARARBPTGES
SCHEMBL12594203 0.88 ALDH1A1 (0.50) GCKRARARARBPTGESALOX5
SCHEMBL12742846 0.86 GCK (0.41) GCKRARGRARARARBPTGES
SCHEMBL12742852 0.83 GCK (0.51) GCKMAOBRARGRARARARB
SCHEMBL12742943 0.82 GCK (0.48) GCKRARGRARARARB
SCHEMBL1107666 0.81 GCK (0.58) GCKRARARARBPTGESALOX5

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 GCK 3/4885MAOB 1195/4885RARG 2802/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 GCK 2/4885MAOB 2842/4885RARG 2917/4885

“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.