SCHEMBL965417

SCHEMBL965417

C=CCO[C@@H]1[C@H](NC(C)=O)[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
MDM2 Q00987 2/20 0.49
POLB P06746 1/20 0.48
MDM4 O15151 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
NT5E P21589 1/20 0.46
PTPN1 P18031 9/20 0.45
CDC25B P30305 8/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN2 P17706 4/20 0.44
PTPN6 P29350 4/20 0.44
PTPN11 Q06124 4/20 0.44
TACR2 P21452 1/20 0.44
BCHE P06276 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
SCHEMBL965416 1.00 TP53 (0.49) TP53MDM2POLBMDM4HSP90AA1
SCHEMBL8822954 0.98 TP53 (0.49) TP53MDM2POLBMDM4HSP90AA1
SCHEMBL11171744 0.96 TP53 (0.47) TP53MDM2POLBMDM4HSP90AA1
SCHEMBL11171739 0.96 TP53 (0.47) TP53MDM2POLBMDM4HSP90AA1
SCHEMBL15514084 0.92 TP53 (0.55) TP53MDM2POLBMDM4HSP90AA1
SCHEMBL5840927 0.92 TP53 (0.55) TP53MDM2POLBMDM4HSP90AA1
SCHEMBL5840884 0.92 TP53 (0.55) TP53MDM2POLBMDM4HSP90AA1
SCHEMBL16967451 0.92 TP53 (0.55) TP53MDM2POLBMDM4HSP90AA1
SCHEMBL10905974 0.91 SSTR4 (0.46) TP53MDM2POLBMDM4HSP90AA1
SCHEMBL10905976 0.91 SSTR4 (0.46) TP53MDM2POLBMDM4HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578598-B1 Componds derived from normuramyldipeptide IMUTHES LTD (GB) 2015-04-15 EP disclosed
US-8653049-B2 Normuramyl glycopeptide compounds IMUTHES LIMITED (GB) 2014-02-18 US disclosed
EP-2578598-A1 Componds derived from normuramyldipeptide IMUTHES LIMITED (GB) 2013-04-10 EP disclosed
EP-2271661-A2 COMPOUNDS DERIVED FROM MURAMYLDIPEPTIDE IMUTHES LIMITED (GB) 2011-01-12 EP disclosed
US-20110002983-A1 COMPOUND IMUTHES LIMITED (GB) 2011-01-06 US disclosed
WO-2009115782-A2 COMPOUND IMUTHES LIMITED (GB) 2009-09-24 WO disclosed
US-4391800-A Immunologically active peptidyl disaccharides and methods of preparation MERCK & CO., INC. (US) 1983-07-05 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 (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-20110002983-A1 COMPOUND C5AR1, C5AR2, ARG1 TP53 925/4885MDM2 1571/4885POLB 3284/4885

“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.