SCHEMBL20165518

SCHEMBL20165518

C=C(CC(=O)NCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
EPHX1 P07099 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
MALT1 Q9UDY8 1/20 0.38
IDO1 P14902 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 1/20 0.36
GFER P55789 1/20 0.36
PTPN11 Q06124 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
SCHEMBL4926959 0.83 GAA (0.51) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL21478060 0.81 TDP1 (0.43) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL6685908 0.80 MEN1 (0.57) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL2605603 0.80 ALOX15 (0.44) MEN1KMT2AALDH1A1
SCHEMBL3341020 0.80 TDP1 (0.67) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL17545679 0.79 TDP1 (0.53) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL15009778 0.79 MEN1 (0.46) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL21182184 0.78 TDP1 (0.60) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL1882369 0.78 TDP1 (0.61) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4394882 0.77 MEN1 (0.53) MEN1GAAKMT2ATDP1EPHX1

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
US-20190313642-A1 A SIMULTANEOUSLY ANTIMICROBIAL AND PROTEIN-REPELLENT POLYZWITTERION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2019-10-17 US disclosed
US-20190313642-A1 A SIMULTANEOUSLY ANTIMICROBIAL AND PROTEIN-REPELLENT POLYZWITTERION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2019-10-17 US disclosed
EP-3510112-A2 A SIMULTANEOUSLY ANTIMICROBIAL AND PROTEIN-REPELLENT POLYZWITTERION Albert-Ludwigs-Universität Freiburg (DE) 2019-07-17 EP disclosed
CN-109983086-A The poly- amphoteric ion that antimicrobial simultaneously and protein repels 弗莱堡阿尔伯特-路德维希大学 2019-07-05 CN disclosed
WO-2018091467-A2 A SIMULTANEOUSLY ANTIMICROBIAL AND PROTEIN-REPELLENT POLYZWITTERION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2018-05-24 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-20190313642-A1 A SIMULTANEOUSLY ANTIMICROBIAL AND PROTEIN-REPELLENT POLYZWITTERION CUTA, WIZ, PUF60 MEN1 3882/4885GAA 4477/4885KMT2A 1857/4885

“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.