SCHEMBL8223034

SCHEMBL8223034

CCCCOC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.56
▸ TNF P01375 3/20 0.55
▸ MDM4 O15151 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ CASP3 P42574 2/20 0.52
▸ MDM2 Q00987 2/20 0.50

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
SCHEMBL30824463 1.00 TLR2 (0.56) TLR2TNFMDM4TP53CASP3
SCHEMBL10081723 1.00 TLR2 (0.56) TLR2TNFMDM4TP53CASP3
SCHEMBL30323573 0.96 TLR2 (0.61) TLR2TNFMDM4TP53CASP3
SCHEMBL14049640 0.90 TLR2 (0.63) TLR2TNFMDM4TP53CASP3
SCHEMBL13464732 0.90 TLR2 (0.63) TLR2TNFMDM4TP53CASP3
SCHEMBL31126369 0.90 TLR2 (0.63) TLR2TNFMDM4TP53CASP3
SCHEMBL29613683 0.89 CASP3 (0.55) TLR2TNFMDM4TP53CASP3
SCHEMBL30656568 0.89 MDM4 (0.59) TNFMDM4TP53CASP3MDM2
SCHEMBL18699448 0.89 TLR2 (0.49) TLR2TNFCASP3
SCHEMBL6190530 0.87 CASP3 (0.57) TLR2TNFMDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 — — US disclosed
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-10-02 — — US disclosed
US-7417028-B2 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 — — US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 — — US disclosed
WO-2007140284-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 — — WO disclosed
US-7238671-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — US disclosed
US-7238670-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — US disclosed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 — — US disclosed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 — — WO disclosed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 — — WO disclosed
WO-2004094461-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-04 — — 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 (5 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-20070021346-A1 N-terminally modified GLP-1 receptor modulators GLP1R, GIPR, IAPP TLR2 1815/4885TNF 3948/4885MDM4 4866/4885
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR TLR2 2076/4885TNF 1299/4885MDM4 4381/4885
US-20080242593-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, GIPR, IAPP TLR2 1935/4885TNF 1287/4885MDM4 4725/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR TLR2 2076/4885TNF 1299/4885MDM4 4381/4885
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, IAPP TLR2 1785/4885TNF 4017/4885MDM4 4869/4885

“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.

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