SCHEMBL3049591

SCHEMBL3049591

CC(C)(C)OC(=O)C/N=C(\S)NCC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.34
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP2D6 P10635 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5896909 0.84 CYP2D6 (0.32) CA2CA12CA14CYP2D6CA1
SCHEMBL5896905 0.84 CYP2D6 (0.32) CA2CA12CA14CYP2D6CA1
SCHEMBL11100080 0.79 TET2 (0.45) CA2CA12CA14CA1MEN1
SCHEMBL11100084 0.79 TET2 (0.45) CA2CA12CA14CA1MEN1
SCHEMBL20048947 0.77 PTPRC (0.39) PTPRCCA2CA12CA14L3MBTL1
SCHEMBL1580190 0.76 NOS1 (0.33) CA2MAOAMAOBCYP2D6CA1
SCHEMBL1580189 0.73 CYP2D6 (0.38) PTPRCCA2CA12CA14L3MBTL1
SCHEMBL5676122 0.73
SCHEMBL3283444 0.72 CYP2D6 (0.33) CA2CA12CA14CYP2D6CA1
SCHEMBL6610608 0.72 MEN1 (0.41) PTPRCCA2CA12CA14L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055283-A1 AZA-PEPTIDE ALDEHYDES AND KETONES OHIO STATE INNOVATION FOUNDATION 2019-02-21 US disclosed
EP-3423468-A1 AZA-PEPTIDE ALDEHYDES AND KETONES The Ohio State Innovation Foundation (US) 2019-01-09 EP disclosed
US-9872495-B2 Peptoid oligomers, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20160219880-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY 2016-08-04 US disclosed
US-9315548-B2 Peptoid oligomers, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2016-04-19 US disclosed
US-20150011465-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY 2015-01-08 US disclosed
US-8828413-B2 Peptoid oligomers, pharmaceutical compositions and methods of using the same NEW YORK UNIVERSITY (US) 2014-09-09 US disclosed
US-20100222255-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NEW YORK UNIVERSITY 2010-09-02 US disclosed
EP-1122252-A1 NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-08 EP 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 (4 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-20150011465-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NOD2, VIP, NOD1 PTPRC 3568/4885CA2 3484/4885CA12 4657/4885
US-20160219880-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NOD2, VIP, NOD1 PTPRC 3568/4885CA2 3484/4885CA12 4657/4885
US-20190055283-A1 AZA-PEPTIDE ALDEHYDES AND KETONES VIP, DNPEP, PEPD PTPRC 741/4885CA2 1097/4885CA12 159/4885
US-20100222255-A1 PEPTOID OLIGOMERS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME NOD2, VIP, NOD1 PTPRC 3568/4885CA2 3484/4885CA12 4657/4885

“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.