SCHEMBL4815974

SCHEMBL4815974

CC(C)(C)OC(=O)N(CC(=O)ON1C(=O)CCC1=O)CC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 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
SCHEMBL2578067 0.94 CA14 (0.33) MT-CO2NFKB1NFKB2RELACA14
SCHEMBL10389291 0.89 NAMPT (0.33) NFKB1NFKB2RELACA14
SCHEMBL2589188 0.88
SCHEMBL4595993 0.87 CTSD (0.32) MT-CO2NFKB1NFKB2RELAHDAC6
SCHEMBL23901170 0.85 CA14 (0.36) MT-CO2NFKB1NFKB2RELACA14
SCHEMBL13747089 0.85 MT-CO2 (0.34) MT-CO2NFKB1NFKB2RELAHDAC6
SCHEMBL11519549 0.85 L3MBTL1 (0.36) CA14
SCHEMBL10042568 0.83 HDAC6 (0.32) HDAC6HDAC1HDAC2
SCHEMBL417618 0.83 NR1D1 (0.32)
SCHEMBL6433493 0.83

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368100-B2 Backbone-substituted bifunctional DOTA ligands, complexes and compositions thereof, and methods of using same THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-05-06 US disclosed
EP-1545498-A4 BACKBONE-SUBSTITUTED BIFUNCTIONAL DOTA LIGANDS, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME US GOV HEALTH & HUMAN SERV (US) 2006-09-06 EP disclosed
US-20060165600-A1 Backbone-substituted bifunctional dota ligands, complexes and compositions thereof, and methods of using same GOVERNMENT OF THE U.S.A., REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SVCS. (US) 2006-07-27 US disclosed
US-7078013-B2 Pretargeting methods and compounds ALETHEON PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed
US-6942966-B1 libraries formed by permutations; combinatorial chemistry; drug screening ISIS PHARMACEUTICALS, INC. (US) 2005-09-13 US disclosed
EP-1545498-A2 BACKBONE-SUBSTITUTED BIFUNCTIONAL DOTA LIGANDS, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING SAME THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-06-29 EP disclosed
US-6908903-B1 Cluster clearing agents ALETHEON PHARMACEUTICALS, INC. (US) 2005-06-21 US disclosed
US-20040241172-A1 Pretargeting methods and compounds NEORX CORPORATION (US) 2004-12-02 US disclosed
EP-0906015-A4 LIVER RETENTION CLEARING AGENTS NEORX CORP (US) 2004-05-12 EP disclosed
US-6709652-B2 RADIOACTIVE LABELING OF BIOTIN NEORX CORPORATION 2004-03-23 US disclosed
US-5578287-A COMPOUNDS FOR MEDICAL DIAGNOSIS AND TARGETS AND ANTIBODIES NEORX CORPORATION (US) 1996-11-26 US disclosed
EP-0736035-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1996-10-09 EP disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed
EP-0732943-A1 THREE-STEP PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1996-09-25 EP disclosed
US-5541287-A DIAGNOSIS USING CYCLIC TRIPEPTIDES WITH NITROBENZYL 1,4,7,10-TETRAAZACYCLODODECANE-N,N*,N**,N***TETRAACETIC ACID BIOTIN CONJUGATE FORMED BY ALKYLATION AND MULTISTAGE PROCESS NEORX CORPORATION (US) 1996-07-30 US disclosed
WO-1995015978-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-15 WO disclosed
WO-1995015335-A2 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-08 WO disclosed
WO-1995014493-A1 THREE-STEP PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-01 WO disclosed
EP-0646019-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-04-05 EP disclosed
WO-1993025240-A2 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1993-12-23 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-20040241172-A1 Pretargeting methods and compounds HLCS, BTD, STRA6 MT-CO2 4651/4885NFKB1 1353/4885NFKB2 2105/4885
US-20060165600-A1 Backbone-substituted bifunctional dota ligands, complexes and compositions thereof, and methods of using same UACA, PAICS, TBCA MT-CO2 4152/4885NFKB1 3053/4885NFKB2 3031/4885

“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.