SCHEMBL2172598

SCHEMBL2172598

O=C(CBr)NCC(C(=O)O)N1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
SLC1A2 P43004 2/20 0.35
ALOX12 P18054 1/20 0.32
MME P08473 1/20 0.31

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
SCHEMBL8510382 0.74 ALDH1A1 (0.53) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL31258269 0.73 TP53 (0.46) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL31307530 0.73 KMT2A (0.43) ALDH1A1PKMSLC1A2
SCHEMBL3505155 0.71 ALDH1A1 (0.58) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL24300565 0.70 ALDH1A1 (0.56) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL604671 0.70 ALDH1A1 (0.56) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL698898 0.70 ALDH1A1 (0.56) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL5162325 0.70 ALDH1A1 (0.56) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL2332165 0.70 ALDH1A1 (0.56) ALDH1A1PKMHDAC3HDAC4HDAC1
SCHEMBL1226562 0.68 ALDH1A1 (0.54) ALDH1A1PKMHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362089-B1 IMMUNOGENIC COMPOSITIONS AGAINST S. AUREUS SANOFI PASTEUR (FR) 2023-12-06 EP claimed
EP-2804631-B1 SURROBODY CONJUGATES I2 PHARMACEUTICALS INC (US) 2021-03-17 EP claimed
EP-2437790-B1 CONJUGATION METHODS IMMUNOGEN INC (US) 2019-02-20 EP claimed
EP-2675480-B1 METHODS OF PREPARATION OF CONJUGATES IMMUNOGEN INC (US) 2018-12-26 EP claimed
WO-2017189448-A1 BIVALENT IMMUNOGENIC CONJUGATE FOR MALARIA AND TYPHOID THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-11-02 WO claimed
EP-2686019-B1 CONJUGATED MOLECULES COMPRISING A PEPTIDE DERIVED FROM THE CD4 RECEPTOR COUPLED TO A POLYANIONIC POLYPEPTIDE FOR THE TREATMENT OF AIDS PASTEUR INSTITUT (FR) 2017-03-01 EP claimed
EP-1853634-B1 ACTIVATED SIALIC ACID DERIVATIVES FOR PROTEIN DERIVATISATION AND CONJUGATION LIPOXEN TECHNOLOGIES LTD (GB) 2016-08-10 EP claimed
EP-1776389-B1 SIALIC ACID DERIVATIVES LIPOXEN TECHNOLOGIES LTD (GB) 2016-06-29 EP claimed
EP-2399609-B1 Process for preparing maytansinoid antibody conjugates IMMUNOGEN INC (US) 2015-03-18 EP claimed
EP-2478049-B1 A POLYMER SUPPORT UNIV CAPE TOWN (ZA) 2015-02-25 EP claimed
EP-2032172-B1 LEPTOMYCIN DERIVATIVES SANOFI SA (FR) 2012-06-06 EP claimed
EP-1813614-B1 Cytotoxic agents comprising new tomaymycin derivatives SANOFI SA (FR) 2011-10-05 EP claimed
EP-1886143-A1 BIOLOGICAL INDICATOR Steris, Inc. (US) 2008-02-13 EP claimed
WO-2007046865-A1 BIOLOGICAL INDICATOR STERIS, INC. (US) 2007-04-26 WO claimed
WO-2004089295-A2 HOMOGENEOUS AND HETEROGENEOUS ASSAY METHODS USING NUCLEATION CENTERS AND NOVEL COVALENT CHEMISTRIES FOR THE RAPID MEASUREMENT OF PHOSPHORYLATION AND DE-PHOSPHORYLATION CHROMAGEN, INC. (US) 2004-10-21 WO claimed
EP-4729073-A1 SYNTHETIC VACCINES AGAINST FRANCISELLA TULARENSIS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2026-04-22 EP disclosed
EP-4682154-A1 PROTECTED TETRASACCHARIDES, THEIR PROCESS OF PREPARATION AND THEIR USE IN THE SYNTHESIS OF OLIGOSACCHARIDES REPRESENTING SEGMENTS OF O-ANTIGENS FROM DIVERSE SHIGELLA FLEXNERI SEROTYPES Institut Pasteur (FR) 2026-01-21 EP disclosed
WO-2004089295-A2 HOMOGENEOUS AND HETEROGENEOUS ASSAY METHODS USING NUCLEATION CENTERS AND NOVEL COVALENT CHEMISTRIES FOR THE RAPID MEASUREMENT OF PHOSPHORYLATION AND DE-PHOSPHORYLATION CHROMAGEN, INC. (US) 2004-10-21 WO disclosed
EP-1314036-A2 BIOSENSOR ASSAY DEVICE AND METHOD Helix Biopharma Corp. (CA) 2003-05-28 EP disclosed
WO-2002018952-A2 BIOSENSOR ASSAY DEVICE AND METHOD HELIX BIOPHARMA CORPORATION (CA) 2002-03-07 WO disclosed