SCHEMBL7035941

SCHEMBL7035941

N[C@@H](CCCCNC(=O)C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GSR P00390 1/20 0.43
OTC P00480 1/20 0.43
KIF11 P52732 3/20 0.43
NAAA Q02083 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42

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
SCHEMBL1242961 0.86 HDAC1 (0.58) POLBKMT2ATDP1NAAAHDAC3
SCHEMBL24130547 0.86 HDAC1 (0.58) POLBKMT2ATDP1NAAAHDAC3
SCHEMBL345305 0.86 HDAC1 (0.58) POLBKMT2ATDP1NAAAHDAC3
SCHEMBL11583619 0.85 HDAC1 (0.53) KMT2ATDP1NAAAHDAC3HDAC4
SCHEMBL29516940 0.83 DPP8 (0.47) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2237833 0.81 EPHX2 (0.57) POLBKMT2ATDP1OTCNAAA
SCHEMBL2237828 0.81 EPHX2 (0.57) POLBKMT2ATDP1OTCNAAA
SCHEMBL8192638 0.81 HDAC3 (0.52) POLBKMT2ATDP1NAAAHDAC3
SCHEMBL1009383 0.80 OTC (0.49) POLBKMT2ATDP1OTCNAAA
SCHEMBL2464340 0.80 OTC (0.49) POLBKMT2ATDP1OTCNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253345-B2 Cell lines MEDIMMUNE LIMITED (GB) 2019-04-09 US disclosed
EP-2898085-B1 CELL LINES MEDIMMUNE LTD (GB) 2019-01-23 EP disclosed
US-20170306381-A1 CELL LINES ALLOZYNE, INC. 2017-10-26 US disclosed
US-20170306380-A1 AMINO ACID DERIVATIVES MEDIMMUNE LIMITED (GB) 2017-10-26 US disclosed
US-9732367-B2 Cell lines MEDIMMUNE LIMITED (GB) 2017-08-15 US disclosed
US-9670521-B2 Amino acid derivatives MEDIMMUNE LIMITED (GB) 2017-06-06 US disclosed
US-20160024522-A1 NOVEL NUCLEIC ACID MOLECULES ALLOZYNE, INC. 2016-01-28 US disclosed
US-20150259721-A1 CELL LINES ALLOZYNE, INC. 2015-09-17 US disclosed
US-20150251994-A1 AMINO ACID DERIVATIVES ALLOZYNE, INC. 2015-09-10 US disclosed
WO-2014044872-A1 CELL LINES ALLOZYNE, INC (US) 2014-03-27 WO disclosed
WO-2014044873-A1 AMINO ACID DERIVATIVES ALLOZYNE, INC (US) 2014-03-27 WO disclosed
US-6676928-B2 AS CONTRAST MEDIA FOR THE VISUALIZATION OF MALIGNANT TUMORS, LYMPH NODES AND NECROTIC TISSUE SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed
US-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use SCHERING AG (DE) 2002-06-20 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 (6 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-20150259721-A1 CELL LINES AARS1, LARS1, IARS1 POLB 1815/4885KMT2A 1119/4885TDP1 863/4885
US-10253345-B2 Cell lines AARS1, LARS1, IARS1 POLB 1815/4885KMT2A 1119/4885TDP1 863/4885
US-20150251994-A1 AMINO ACID DERIVATIVES BCAT2, DNPEP, BCAT1 POLB 4346/4885KMT2A 3685/4885TDP1 4070/4885
US-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use FFAR1, FGB, FCGRT POLB 753/4885KMT2A 4174/4885TDP1 3802/4885
US-20170306381-A1 CELL LINES AARS1, LARS1, IARS1 POLB 1815/4885KMT2A 1119/4885TDP1 863/4885
US-20170306380-A1 AMINO ACID DERIVATIVES BCAT2, DNPEP, BCAT1 POLB 4346/4885KMT2A 3685/4885TDP1 4070/4885

“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.