SCHEMBL1107637

SCHEMBL1107637

CC(C)Oc1cc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.49
GPR119 Q8TDV5 5/20 0.44
PIK3CD O00329 6/20 0.44
GCK P35557 1/20 0.41
CHEK2 O96017 1/20 0.41
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
S1PR3 Q99500 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
SCHEMBL1107610 0.94 GPR119 (0.51) USP30GPR119CHEK2P2RX3P2RX2
SCHEMBL12594149 0.92 USP30 (0.47) USP30GPR119PIK3CDCHEK2P2RX3
SCHEMBL1107528 0.90 USP30 (0.46) USP30GPR119PIK3CDCHEK2P2RX3
SCHEMBL23456348 0.85 USP30 (0.48) USP30GPR119PIK3CDCHEK2PIK3CA
SCHEMBL23456163 0.85 USP30 (0.48) USP30GPR119PIK3CDCHEK2PIK3CA
SCHEMBL9891684 0.85 GPR119 (0.51) USP30GPR119CHEK2P2RX3P2RX2
SCHEMBL23456164 0.85 USP30 (0.48) USP30GPR119PIK3CDCHEK2PIK3CA
SCHEMBL1107619 0.83 GPR119 (0.49) GPR119CHEK2P2RX3P2RX2PDE4B
SCHEMBL5549702 0.81 USP30 (0.57) USP30GPR119PIK3CDCHEK2PDE4B
SCHEMBL2980098 0.81 USP30 (0.57) USP30GPR119PIK3CDCHEK2PDE4B

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 7 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-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2012-06-07 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
US-8153677-B2 Substituted pyrazolylamide compounds useful as glucokinase activators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-10 US disclosed
WO-2008005964-A2 PHOSPHONATE AND PHOSPHINATE COMPOUNDS AS GLUCOKINASE ACTIVATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 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-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 USP30 3701/4885GPR119 18/4885PIK3CD 623/4885
US-20120142636-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 USP30 3768/4885GPR119 14/4885PIK3CD 661/4885

“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.