SCHEMBL3486898

SCHEMBL3486898

CC(C)(C)OC(=O)NCCOCCOCCNC(=O)COCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
IDO1 P14902 1/20 0.40
ADORA1 P30542 3/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
GBA1 P04062 1/20 0.39
SUCNR1 Q9BXA5 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
GLP1R P43220 5/20 0.38
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL29679063 1.00 MEN1 (0.44) MEN1GAAKMT2ATDP1IDO1
SCHEMBL9971647 1.00 MEN1 (0.44) MEN1GAAKMT2ATDP1IDO1
SCHEMBL13077420 1.00 MEN1 (0.44) MEN1GAAKMT2ATDP1IDO1
SCHEMBL13137474 0.97 MEN1 (0.44) MEN1GAAKMT2ATDP1IDO1
SCHEMBL18179121 0.92 MEN1 (0.42) MEN1GAAKMT2ATDP1IDO1
SCHEMBL15445093 0.92 MEN1 (0.49) MEN1GAAKMT2ATDP1IDO1
SCHEMBL23728812 0.91 MEN1 (0.49) MEN1GAAKMT2ATDP1IDO1
SCHEMBL17364289 0.91 MEN1 (0.49) MEN1GAAKMT2ATDP1IDO1
SCHEMBL21069640 0.91 MEN1 (0.49) MEN1GAAKMT2ATDP1IDO1
SCHEMBL21071644 0.91 MEN1 (0.49) MEN1GAAKMT2ATDP1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3391056-B1 CHROMOGENIC PEROXIDASE SUBSTRATES AGILENT TECHNOLOGIES INC (US) 2024-01-17 EP disclosed
US-11466314-B2 Chromogenic peroxidase substrates AGILENT TECHNOLOGIES, INC. (US) 2022-10-11 US disclosed
US-20200157613-A1 CHROMOGENIC PEROXIDASE SUBSTRATES DAKO DENMARK APS (DK) 2020-05-21 US disclosed
US-20170175178-A1 CHROMOGENIC PEROXIDASE SUBSTRATES DAKO DENMARK APS (DK) 2017-06-22 US disclosed
EP-2046375-B1 METHODS AND COMPOSITIONS FOR THE SELECTIVE ACTIVATION OF PROTOXINS THROUGH COMBINATORIAL TARGETING MASSACHUSETTS GEN HOSPITAL (US) 2017-04-05 EP disclosed
US-8993295-B2 Methods, compositions, and kits for the selective activation of protoxins through combinatorial targeting THE GENERAL HOSPITAL CORPORATION (US) 2015-03-31 US disclosed
US-8993295-B2 Methods, compositions, and kits for the selective activation of protoxins through combinatorial targeting THE GENERAL HOSPITAL CORPORATION (US) 2015-03-31 US disclosed
US-8993295-B2 Methods, compositions, and kits for the selective activation of protoxins through combinatorial targeting THE GENERAL HOSPITAL CORPORATION (US) 2015-03-31 US disclosed
US-7893253-B2 Aminating reducing sugar; mass spectrometry MERCK PATENT GMBH (DE) 2011-02-22 US disclosed
US-20100055761-A1 METHODS, COMPOSITIONS, AND KITS FOR THE SELECTIVE ACTIVATION OF PROTOXINS THROUGH COMBINATORAL TARGETING THE GENERAL HOSPITAL CORPORATION (US) 2010-03-04 US disclosed
US-20100055761-A1 METHODS, COMPOSITIONS, AND KITS FOR THE SELECTIVE ACTIVATION OF PROTOXINS THROUGH COMBINATORAL TARGETING THE GENERAL HOSPITAL CORPORATION (US) 2010-03-04 US disclosed
US-20100055761-A1 METHODS, COMPOSITIONS, AND KITS FOR THE SELECTIVE ACTIVATION OF PROTOXINS THROUGH COMBINATORAL TARGETING THE GENERAL HOSPITAL CORPORATION (US) 2010-03-04 US disclosed
EP-1846765-B1 SOLID-PHASE OLIGOSACCHARIDE TAGGING: A TECHNIQUE FOR MANIPULATION OF IMMOBILIZED CARBOHYDRATES MERCK PATENT GMBH (DE) 2009-05-27 EP disclosed
US-20080305070-A1 RELEASABLE POLYMERIC CONJUGATES BASED ON ALIPHATIC BIODEGRADABLE LINKERS ENZON PHARMACEUTICALS, INC. (US) 2008-12-11 US disclosed
US-20080227092-A1 Solid-Phase Oligosaccharide Tagging: a Technique for Manipulation of Immobilized Carbohydrates MERCK PATENT GESELLSCHAFT (DE) 2008-09-18 US disclosed
US-20070166276-A1 Releasable polymeric conjugates based on aliphatic biodegradable linkers ENZON PHARMACEUTICALS, INC. 2007-07-19 US disclosed
US-20070166276-A1 Releasable polymeric conjugates based on aliphatic biodegradable linkers ENZON PHARMACEUTICALS, INC. 2007-07-19 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 (5 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-20170175178-A1 CHROMOGENIC PEROXIDASE SUBSTRATES MPO, TPO, TYR MEN1 3360/4885GAA 101/4885KMT2A 4046/4885
US-11466314-B2 Chromogenic peroxidase substrates MPO, TPO, TYR MEN1 3504/4885GAA 114/4885KMT2A 4064/4885
US-20200157613-A1 CHROMOGENIC PEROXIDASE SUBSTRATES MPO, TPO, TYR MEN1 3504/4885GAA 114/4885KMT2A 4064/4885
US-20070166276-A1 Releasable polymeric conjugates based on aliphatic biodegradable linkers CD44, PAICS, ALG1 MEN1 3290/4885GAA 540/4885KMT2A 3190/4885
US-20080305070-A1 RELEASABLE POLYMERIC CONJUGATES BASED ON ALIPHATIC BIODEGRADABLE LINKERS CD44, PAICS, PCBP1 MEN1 3971/4885GAA 1027/4885KMT2A 2125/4885

“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.