SCHEMBL5078455

SCHEMBL5078455

NC(CCC(=O)N1Cc2ccccc2C1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.62
DPP8 Q6V1X1 11/20 0.55
DPP7 Q9UHL4 11/20 0.55
HDAC8 Q9BY41 5/20 0.54
PARP1 P09874 1/20 0.52
DPP9 Q86TI2 4/20 0.51
LTA4H P09960 1/20 0.46

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
SCHEMBL5078454 1.00 DPP4 (0.62) DPP4DPP8DPP7HDAC8PARP1
SCHEMBL5137673 0.90 DPP8 (0.64) DPP4DPP8DPP7HDAC8PARP1
SCHEMBL5137675 0.90 DPP8 (0.64) DPP4DPP8DPP7HDAC8PARP1
SCHEMBL8232343 0.88 DPP4 (0.62) DPP4DPP8DPP7HDAC8DPP9
Hydrochloric Acid SCHEMBL23834108 0.87 DPP8 (0.53) DPP4DPP8DPP7HDAC8PARP1
Hydrochloric Acid SCHEMBL23834111 0.87 DPP8 (0.53) DPP4DPP8DPP7HDAC8PARP1
Hydrochloric Acid SCHEMBL23833867 0.84 PARP1 (0.55) DPP4DPP8DPP7HDAC8PARP1
Hydrochloric Acid SCHEMBL23833870 0.84 PARP1 (0.55) DPP4DPP8DPP7HDAC8PARP1
SCHEMBL14523899 0.82 DPP4 (0.71) DPP4DPP8DPP7HDAC8DPP9
Hydrochloric Acid SCHEMBL23834262 0.81 PARP1 (0.47) DPP4DPP8DPP7HDAC8PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN claimed
EP-1976873-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Brystol-Myers Squibb Company (US) 2008-10-08 EP claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO claimed

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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP DPP4 14/4885DPP8 41/4885DPP7 18/4885

“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.