SCHEMBL4528176

SCHEMBL4528176

O=C(ON1C(=O)CCC1=O)c1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
CACNA1B Q00975 2/20 0.55
APBA1 Q02410 2/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
DDAH1 O94760 1/20 0.53
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
MGLL Q99685 11/20 0.47
FAAH O00519 4/20 0.47
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
CCR6 P51684 1/20 0.40

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
SCHEMBL29189790 0.89 CA12 (0.61) ALDH1A1HPGDCA12CA1CA9
SCHEMBL9820253 0.87 ALDH1A1 (0.53) HSP90AA1TDP1ALDH1A1NPSR1CACNA1B
SCHEMBL300884 0.85 CA12 (0.42) TDP1ALDH1A1HPGDCA12CA1
SCHEMBL10328161 0.84 NSD2 (0.53) HSP90AA1TDP1ALDH1A1NPSR1CACNA1B
SCHEMBL10328160 0.84 NSD2 (0.49) HSP90AA1TDP1ALDH1A1NPSR1CACNA1B
SCHEMBL15991987 0.84 ALDH1A1 (0.56) HSP90AA1TDP1ALDH1A1NPSR1CACNA1B
SCHEMBL29354362 0.82 MAPK1 (0.54) HSP90AA1ALDH1A1HTTMGLLFAAH
SCHEMBL79589 0.82 MAPK1 (0.54) HSP90AA1ALDH1A1HTTMGLLFAAH
SCHEMBL15991754 0.82 ALDH1A1 (0.47) HSP90AA1TDP1ALDH1A1NPSR1CACNA1B
SCHEMBL17301093 0.81 KMT2A (0.38) HSP90AA1TDP1ALDH1A1NPSR1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220135614-A1 SYNTHESIS OF BICYCLE TOXIN CONJUGATES, AND INTERMEDIATES THEREOF Bicyclerd Limited (GB) 2022-05-05 US disclosed
US-9242010-B2 Living copolymer-protein/peptide hybrids for biomedical applications RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2016-01-26 US disclosed
US-9242010-B2 Living copolymer-protein/peptide hybrids for biomedical applications RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2016-01-26 US disclosed
WO-2014079890-A1 TITANATE NANOSTRUCTURE FOR REGENERATING AND ENGINEERING TISSUE UNIVERSITE DE BOURGOGNE (FR) 2014-05-30 WO disclosed
US-20110262991-A1 Living Copolymer-Protein/Peptide Hybrids for Biomedical Applications THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2011-10-27 US disclosed
US-20090305264-A1 COOPERATIVE PROBES AND METHODS OF USING THEM FLUIDIGM CORPORATION 2009-12-10 US disclosed
WO-2009140683-A1 LIVING COPOLYMER PROTEIN/PEPTIDE HYBRIDS FOR BIOMEDICAL APPLICATIONS RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2009-11-19 WO disclosed
EP-2004861-A2 COOPERATIVE PROBES AND METHODS OF USING THEM Arcxis Biotechnologies, Inc. (US) 2008-12-24 EP disclosed
EP-1893741-A1 CELL-BASED MICROARRAYS, AND METHODS FOR THEIR PREPARATION AND USE Beckman Coulter, Inc. (US) 2008-03-05 EP disclosed
WO-2007114986-A2 COOPERATIVE PROBES AND METHODS OF USING THEM ARCXIS BIOTECHNOLOGIES, INC. (US) 2007-10-11 WO disclosed
US-7262177-B2 Conjugates of glycosylated/galactosylated peptide, bifunctional linker, and nucleotidic monomers/polymers, and related compositions and methods of use CELL WORKS THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
US-7262177-B2 Conjugates of glycosylated/galactosylated peptide, bifunctional linker, and nucleotidic monomers/polymers, and related compositions and methods of use CELL WORKS THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
WO-2007001817-A1 CELL-BASED MICROARRAYS, AND METHODS FOR THEIR PREPARATION AND USE BECKMAN COULTER, INC. (US) 2007-01-04 WO disclosed
US-20060292559-A1 Cell-based microarrays, and methods for their preparation and use BECKMAN COULTER, INC. (US) 2006-12-28 US disclosed
EP-0779934-B1 COMPOSITIONS AND METHODS FOR USE IN DETECTION OF ANALYTES BECKMAN COULTER INC (US) 2000-04-05 EP disclosed
US-5648213-A IMMUNOASSAY BECKMAN INSTRUMENTS, INC. (US) 1997-07-15 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 (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-20220135614-A1 SYNTHESIS OF BICYCLE TOXIN CONJUGATES, AND INTERMEDIATES THEREOF BTD, ANTXR2, CYCS HSP90AA1 1706/4885TDP1 2483/4885ALDH1A1 3317/4885

“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.