SCHEMBL2247290

SCHEMBL2247290

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MEP1B Q16820 2/20 0.41
HIF1A Q16665 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PTPN1 P18031 1/20 0.38
HPGDS O60760 1/20 0.38
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL2248272 0.87 MEN1 (0.51) MEN1KMT2AMEP1BKDM4E
SCHEMBL2242517 0.86 FFAR1 (0.51)
SCHEMBL2250511 0.84 MEN1 (0.47) MEN1KMT2APDCD1CD274KDM4E
SCHEMBL2247297 0.84 TACR1 (0.43) TACR1MEN1KMT2AHIF1APDCD1
SCHEMBL2249856 0.82 ALDH1A1 (0.52) MEN1KMT2AMEP1B
SCHEMBL2245581 0.79 MEP1B (0.43) MEP1BPTPN1HPGDS
SCHEMBL2248442 0.79 TAS1R3 (0.50) MEN1KMT2APDCD1CD274LMNA
SCHEMBL2249530 0.78 HDAC1 (0.49) MEN1KMT2AKDM4E
SCHEMBL2251929 0.77 MEP1B (0.52) MEP1BHPGDS
SCHEMBL8804625 0.77 MAOA (0.53) TACR1MEN1KMT2A

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 703/4885MEN1 2734/4885KMT2A 2364/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 TACR1 703/4885MEN1 2734/4885KMT2A 2364/4885

“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.