SCHEMBL5020127

SCHEMBL5020127

CCOC(=O)[C@H](CS)NC(=O)CC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
CAD P27708 1/20 0.42
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS2 P35354 1/20 0.38
THPO P40225 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CPB2 Q96IY4 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 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
SCHEMBL5058848 0.90 L3MBTL1 (0.61) L3MBTL1KMT2APOLBCADCYP2C9
SCHEMBL5020129 0.88 L3MBTL1 (0.44) L3MBTL1KMT2APOLBCADKDM4E
SCHEMBL10797111 0.86 CYP2C9 (0.41) L3MBTL1KMT2APOLBCYP2C9KDM4E
SCHEMBL10797114 0.86 CYP2C9 (0.41) L3MBTL1KMT2APOLBCYP2C9KDM4E
SCHEMBL29543223 0.85 L3MBTL1 (0.47) L3MBTL1KMT2APOLBCADCYP2C9
SCHEMBL2140677 0.85 KMT2A (0.53) L3MBTL1KMT2APOLBCADKDM4E
SCHEMBL13097642 0.84 L3MBTL1 (0.58) L3MBTL1KMT2APOLBCADCYP2C9
SCHEMBL4990411 0.84 CAD (0.44) L3MBTL1KMT2APOLBCADCYP2C9
SCHEMBL4984189 0.84 L3MBTL1 (0.46) L3MBTL1KMT2APOLBCADCYP2C9
SCHEMBL122644 0.82 MAPT (0.59) L3MBTL1KMT2APOLBCADCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653238-B2 Compositions and methods for transport of molecules with enhanced release properties across biological barriers THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-02-18 US disclosed
WO-2012065102-A2 S-T-BUTYL PROTECTED CYSTEINE DI-PEPTIDE ANALOGS AND RELATED COMPOUNDS PROMENTIS PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-10-07 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-20100255499-A1 COMPOSITIONS AND METHODS FOR TRANSPORT OF MOLECULES WITH ENHANCED RELEASE PROPERTIES ACROSS BIOLOGICAL BARRIERS SLC2A9, SLC43A1, SLC2A8 L3MBTL1 2873/4885KMT2A 4253/4885POLB 2987/4885

“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.