SCHEMBL8259207

SCHEMBL8259207

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 1/20 0.49
TLR2 O60603 2/20 0.47
TLR1 Q15399 1/20 0.47
MDM2 Q00987 1/20 0.47
PTPN1 P18031 3/20 0.46
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMB5 P28074 1/20 0.46
KLK5 Q9Y337 2/20 0.45
KLK7 P49862 1/20 0.45
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 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
SCHEMBL29431191 0.94 MDM2 (0.51) PAX8TDP1KMT2ATLR2TLR1
SCHEMBL12340097 0.93 KMT2A (0.48) PAX8TDP1KMT2ATLR2TLR1
SCHEMBL12214994 0.93 MMP1 (0.49) PAX8TDP1KMT2ATLR2TLR1
SCHEMBL16870156 0.93 MDM2 (0.52) PAX8TDP1KMT2ATLR2TLR1
SCHEMBL1755616 0.93 PAX8 (0.55) PAX8TDP1KMT2ATLR2TLR1
SCHEMBL30193389 0.93 MDM2 (0.52) PAX8TDP1KMT2ATLR2TLR1
SCHEMBL18421240 0.93 MDM2 (0.52) PAX8TDP1KMT2ATLR2TLR1
SCHEMBL30193403 0.93 MDM2 (0.52) PAX8TDP1KMT2ATLR2TLR1
SCHEMBL16870002 0.93 MDM2 (0.52) PAX8TDP1KMT2ATLR2TLR1
SCHEMBL17444823 0.92 KLK7 (0.53) KMT2ATLR2TLR1KLK5KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
EP-2199300-A2 Peptidic compounds The University Of Wollongong (AU) 2010-06-23 EP disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
US-20080300287-A1 Peptidic Compounds UNIVERSITY OF WOLLONGONG (AU) 2008-12-04 US disclosed
WO-2006074501-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2006-07-20 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-20080300287-A1 Peptidic Compounds VIP, NGLY1, FURIN PAX8 4788/4885TDP1 4588/4885KMT2A 4643/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN PAX8 4776/4885TDP1 4624/4885KMT2A 4562/4885

“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.