SCHEMBL2140677

SCHEMBL2140677

CCCC(=O)NC(CS)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
NOD1 Q9Y239 4/20 0.42
CAD P27708 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CTSD P07339 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36

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 0.87 L3MBTL1 (0.61) KMT2APOLBL3MBTL1NOD1CAD
SCHEMBL5020127 0.85 L3MBTL1 (0.50) KMT2APOLBL3MBTL1NOD1CAD
SCHEMBL6676068 0.82 KMT2A (0.47) KMT2APOLBL3MBTL1NOD1CAD
SCHEMBL1217963 0.82 NOD1 (0.55) KMT2APOLBL3MBTL1NOD1CAD
SCHEMBL1217960 0.82 NOD1 (0.55) KMT2APOLBL3MBTL1NOD1CAD
SCHEMBL29543223 0.82 L3MBTL1 (0.47) KMT2APOLBL3MBTL1NOD1CAD
SCHEMBL4990411 0.81 CAD (0.44) KMT2APOLBL3MBTL1CADCYP1A2
SCHEMBL28885651 0.81 KMT2A (0.51) KMT2APOLBL3MBTL1NOD1CAD
SCHEMBL4984189 0.81 L3MBTL1 (0.46) KMT2APOLBL3MBTL1NOD1CAD
SCHEMBL28885656 0.81 KMT2A (0.59) KMT2APOLBL3MBTL1NOD1CAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
CN-102083839-A Compound (I) ASTRAZENECA AB 2011-06-01 CN disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 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-20120322788-A1 Compouds PKD1, SBDS, ABCB11 KMT2A 3565/4885POLB 3022/4885L3MBTL1 4881/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 KMT2A 4286/4885POLB 3862/4885L3MBTL1 4881/4885

“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.