SCHEMBL2248449

SCHEMBL2248449

COc1ccc(CN[C@@H](CCC(N)=O)C(=O)O)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
APLNR P35414 1/20 0.49
CD274 Q9NZQ7 4/20 0.48
PDCD1 Q15116 2/20 0.48
DPP7 Q9UHL4 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
KDM4C Q9H3R0 1/20 0.44

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
SCHEMBL23834257 0.87 TAS1R3 (0.49) TAS1R3TAS1R1APLNRCD274PDCD1
SCHEMBL2248442 0.86 TAS1R3 (0.50) TAS1R3TAS1R1APLNRCD274PDCD1
SCHEMBL2247336 0.84 ITGA4 (0.53) MEN1KMT2A
SCHEMBL28047753 0.84 PTPN1 (0.45) CD274PDCD1
SCHEMBL28047760 0.84 PTPN1 (0.45) CD274PDCD1
SCHEMBL28662643 0.84 APLNR (0.55) TAS1R3TAS1R1APLNRCD274PDCD1
SCHEMBL28662641 0.84 APLNR (0.55) TAS1R3TAS1R1APLNRCD274PDCD1
SCHEMBL29233269 0.83 TAS1R3 (0.54) TAS1R3TAS1R1APLNRCD274PDCD1
SCHEMBL2242522 0.81 MMP2 (0.48)
SCHEMBL2248276 0.80 MEN1 (0.51) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 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 (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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 TAS1R3 1826/4885TAS1R1 1668/4885APLNR 127/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 TAS1R3 1826/4885TAS1R1 1668/4885APLNR 127/4885

“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.