SCHEMBL2248442

SCHEMBL2248442

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
APLNR P35414 1/20 0.49
DPP7 Q9UHL4 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
POLB P06746 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 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
SCHEMBL2248449 0.86 TAS1R3 (0.50) TAS1R3TAS1R1APLNRDPP7MEN1
SCHEMBL2247333 0.84 ITGA4 (0.53) MEN1KMT2ALMNAPOLB
SCHEMBL2242517 0.81 FFAR1 (0.51)
SCHEMBL29233269 0.80 TAS1R3 (0.54) TAS1R3TAS1R1APLNRMEN1KMT2A
SCHEMBL23834257 0.80 TAS1R3 (0.49) TAS1R3TAS1R1APLNRMEN1KMT2A
SCHEMBL2490342 0.80 APLNR (0.56) TAS1R3TAS1R1APLNRDPP7MEN1
SCHEMBL2248272 0.80 MEN1 (0.51) MEN1KMT2APOLB
SCHEMBL2249856 0.79 ALDH1A1 (0.52) MEN1KMT2APOLB
SCHEMBL2247290 0.79 TACR1 (0.43) MEN1KMT2ALMNAPDCD1CD274
SCHEMBL28662643 0.79 APLNR (0.55) TAS1R3TAS1R1APLNRMEN1KMT2A

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.