SCHEMBL6466825

SCHEMBL6466825

Cc1cn(C[C]=O)c(=O)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
HPGD P15428 1/20 0.54
TK1 P04183 2/20 0.51
TYMP P19971 4/20 0.49
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TK2 O00142 1/20 0.43

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
SCHEMBL13403292 0.84 MAPK1 (0.54) MAPK1HPGDTK1TYMPALDH1A1
SCHEMBL2183944 0.79 MAPK1 (0.61) MAPK1HPGDTK1TYMPALDH1A1
SCHEMBL27708058 0.77 MAPK1 (0.59) MAPK1HPGDTK1TYMPALDH1A1
SCHEMBL1058809 0.77 MAPK1 (0.59) MAPK1HPGDTK1TYMPALDH1A1
Ammonia Solution, Strong SCHEMBL4194711 0.77 MAPK1 (0.59) MAPK1HPGDTK1TYMPALDH1A1
SCHEMBL15110503 0.77 TK2 (0.60) MAPK1HPGDTK1TYMPTK2
SCHEMBL26034737 0.77 MAPK1 (0.59) MAPK1HPGDTK1TYMP
SCHEMBL23873105 0.76 TYMP (0.58) MAPK1HPGDTK1TYMP
SCHEMBL16380799 0.76 TYMP (0.58) MAPK1HPGDTK1TYMP
SCHEMBL7215300 0.76 MAPK1 (0.57) MAPK1HPGDTK1TYMPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037082-A1 SYNTHETIC PEPTIDES, ENZYMATIC FORMATION OF PERICELLULAR HYDROGELS/NANOFIBRILS, AND METHODS OF USE BRANDEIS UNIVERSITY 2017-02-09 US claimed
WO-2015157535-A2 SYNTHETIC PEPTIDES, ENZYMATIC FORMATION OF PERICELLULAR HYDROGELS/NANOFIBRILS, AND METHODS OF USE BRANDEIS UNIVERSITY (US) 2015-10-15 WO claimed
US-6359061-B1 COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2002-03-19 US claimed
US-6316623-B1 USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2001-11-13 US claimed
US-11839661-B2 Rapid formation of supramolecular hydrogels by short peptide and bioactive small molecules BRANDEIS UNIVERSITY (US) 2023-12-12 US disclosed
US-20210128745-A1 RAPID FORMATION OF SUPRAMOLECULAR HYDROGELS BY SHORT PEPTIDE AND BIOACTIVE SMALL MOLECULES BRANDEIS UNIVERSITY 2021-05-06 US disclosed
WO-2019035928-A1 RAPID FORMATION OF SUPRAMOLECULAR HYDROGELS BY SHORT PEPTIDE AND BIOACTIVE SMALL MOLECULES BRANDEIS UNIVERSITY (US) 2019-02-21 WO disclosed
US-8188011-B1 Optimization of ligand affinity for RNA targets using mass spectrometry ISIS PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20050142581-A1 Microrna as ligands and target molecules ISIS PHARMACEUTICALS, INC. 2005-06-30 US disclosed
US-6849660-B1 Antimicrobial biaryl compounds ISIS PHARMACEUTICALS, INC. (US) 2005-02-01 US disclosed
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-6770486-B1 IDENTIFICATION OF LIGAND COMPOUNDS THAT BIND TO TARGET MOLECULES SUCH AS PROTEINS OR STRUCTURED RNA WITH AS LITTLE AS MILLIMOLAR (MM) AFFINITY USING MASS SPECTROMETRY ISIS PHARMACEUTICALS, INC. 2004-08-03 US disclosed
US-6204326-B1 ADDING PEPTIDE NUCLEIC ACID UNITS TO AN AMINE TERMINATED PEPTIDE NUCLEIC ACID OLIGOMER ON A SOLID PHASE SYNTHETIC RESIN; BIOSYNTHESIS ISIS PHARMACEUTICALS, INC. 2001-03-20 US disclosed
EP-0777678-B1 PNA COMBINATORIAL LIBRARIES AND IMPROVED METHODS OF SYNTHESIS ISIS PHARMACEUTICALS INC (US) 1999-10-13 EP disclosed
US-5864010-A ENZYME INHIBITOR; ANTIINFLAMMATORY AGENT ISIS PHARMACEUTICALS, INC. (US) 1999-01-26 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
US-5831014-A OLIGOMERS WITH PEPTIDE NUCLEIC ACID UNITS AND AMINO ACID UNITS ISIS PHARMACEUTICALS, INC. (US) 1998-11-03 US disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
US-5539083-A FROM HALOACETYL HALIDE OR SULFONYLACETYL HALIDE, PROTECTED ALKYLENEDIAMINE, AND A DERIVATIVE OF A NUCLEIC ACID BASE ISIS PHARMACEUTICALS, INC. (US) 1996-07-23 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-20170037082-A1 SYNTHETIC PEPTIDES, ENZYMATIC FORMATION OF PERICELLULAR HYDROGELS/NANOFIBRILS, AND METHODS OF USE DNPEP, ENPEP, ANPEP MAPK1 1658/4885HPGD 3290/4885TK1 128/4885

“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.