SCHEMBL1926702

SCHEMBL1926702

CC(C)(C)OC(=O)N(CCCc1ccccc1)[C@H](CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
GRIK1 P39086 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 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
SCHEMBL1928928 0.93 L3MBTL1 (0.40) L3MBTL1CTSSCTSKLMNAPOLB
SCHEMBL1928929 0.93 L3MBTL1 (0.40) L3MBTL1CTSSCTSKLMNAPOLB
SCHEMBL12514549 0.87 L3MBTL1 (0.41) L3MBTL1GRIK1CTSSCTSKALOX5
SCHEMBL2580570 0.85 L3MBTL1 (0.47) L3MBTL1CTSSMEN1LMNAKMT2A
SCHEMBL7276228 0.85 L3MBTL1 (0.47) L3MBTL1CTSSMEN1LMNAKMT2A
SCHEMBL21845402 0.80 MEN1 (0.32) GRIK1CTSSCTSKMEN1KMT2A
SCHEMBL22327659 0.80 L3MBTL1 (0.43) L3MBTL1CTSSCTSKKDM4EMEN1
SCHEMBL12514163 0.79 ADRB2 (0.39) L3MBTL1CTSSCTSKPOLBHDAC3
SCHEMBL17623483 0.79 CYP3A4 (0.47) LMNA
SCHEMBL29017260 0.78 KMT2A (0.45) L3MBTL1CTSSCTSKALOX5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763509-B1 ALPHA-HELICAL MIMETICS WALTER & ELIZA HALL INST MEDICAL RES (AU) 2018-02-21 EP disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 US disclosed
EP-1763509-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-03-21 EP disclosed
WO-2006002474-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-12 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 (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-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD L3MBTL1 85/4885GRIK1 4419/4885CTSS 1710/4885

“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.