SCHEMBL2247297

SCHEMBL2247297

COc1cc(CN[C@@H](CCC(N)=O)C(=O)O)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2248276 0.87 MEN1 (0.51) KMT2AMEN1HIF1AL3MBTL1KDM4E
SCHEMBL2242522 0.86 MMP2 (0.48)
SCHEMBL28047753 0.84 PTPN1 (0.45) PDCD1CD274L3MBTL1
SCHEMBL28047760 0.84 PTPN1 (0.45) PDCD1CD274L3MBTL1
SCHEMBL2250523 0.84 KMT2A (0.47) KMT2AMEN1PDCD1CD274KDM4E
SCHEMBL2247290 0.84 TACR1 (0.43) TACR1KMT2AMEN1PDCD1CD274
SCHEMBL2249864 0.82 ATM (0.54) KMT2AMEN1MAPK1
SCHEMBL29213268 0.81 GRN (0.44) TACR1KMT2AMEN1PDCD1CD274
SCHEMBL29213264 0.81 GRN (0.44) TACR1KMT2AMEN1PDCD1CD274
SCHEMBL4365892 0.79 KDM4E (0.42) TACR1KMT2AMEN1HIF1AKDM4E

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
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
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 TACR1 703/4885KMT2A 2364/4885MEN1 2734/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 TACR1 703/4885KMT2A 2364/4885MEN1 2734/4885

“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.