SCHEMBL1171906

SCHEMBL1171906

N[C@@H](Cc1ccc(OC(=O)[C@@H](N)Cc2c[nH]cn2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
PTPN1 P18031 2/20 0.44
SLC7A5 Q01650 4/20 0.43
PTGS1 P23219 3/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
XIAP P98170 1/20 0.42
TPH1 P17752 3/20 0.39
GRB2 P62993 1/20 0.39
ALOX15 P16050 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
ADORA3 P0DMS8 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
Histidine SCHEMBL8315963 1.00 ITGB3 (0.46) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Histidine SCHEMBL8316688 1.00 ITGB3 (0.46) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Lysine SCHEMBL18297989 0.91 ITGB3 (0.52) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Tryptophan SCHEMBL2689669 0.87 KMT2A (0.57) ALOX15HIF1AHSD17B10KDM4EADORA3
Histidine SCHEMBL1996749 0.87 KMT2A (0.57) ALOX15HIF1AHSD17B10KDM4EADORA3
SCHEMBL7782151 0.86 SLC1A3 (0.37) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7782152 0.86 SLC1A3 (0.37) SLC7A5PTGS1ALPIPKMXIAP
Arginine SCHEMBL8315939 0.86 SLC7A5 (0.40) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Arginine SCHEMBL8317787 0.86 SLC7A5 (0.40) ITGB3ITGA2BPTPN1SLC7A5PTGS1
Tyrosine SCHEMBL606712 0.84 SLC7A5 (0.65) ITGB3ITGA2BSLC7A5PTGS1ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107162855-A A kind of nutrient matrix cultivated for flower plants and nursery stock and preparation method thereof 安徽省百思德农业发展有限公司 2017-09-15 CN claimed
CN-107141134-A A kind of Vegetable Soil modifying agent and preparation method thereof 合肥卓畅农业科技有限公司 2017-09-08 CN claimed
US-9458220-B2 Single-chain insulin agonists exhibiting high activity at the insulin receptor INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-10-04 US claimed
US-20150148520-A1 SINGLE-CHAIN INSULIN AGONISTS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR UNIV INDIANA RES & TECH CORP (US) 2015-05-28 US claimed
US-8610058-B2 Silver and silver nanoparticle MALDI matrix utilizing online soft landing ion mobility UNIVERSITY OF NORTH TEXAS (US) 2013-12-17 US claimed
US-20130203665-A1 SINGLE-CHAIN INSULIN AGONISTS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2013-08-08 US claimed
EP-2582719-A2 SINGLE CHAIN INSULIN AGONISTS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR Indiana University Research And Technology Corporation (US) 2013-04-24 EP claimed
US-20120104243-A1 Silver and Silver Nanoparticle MALDI Matrix Utilizing Online Soft Landing Ion Mobillity UNIVERSITY OF NORTH TEXAS (US) 2012-05-03 US claimed
WO-2011159895-A2 SINGLE CHAIN INSULIN AGONISTS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-12-22 WO claimed
EP-1620122-A4 USE OF A PEPTIDE THAT INTERACTS WITH ALPHA V BETA3 INTEGRIN OF ENDOTHELIAL CELL REGEN BIOTECH INC (KR) 2009-08-12 EP claimed
EP-2029739-A2 LASE ENZYMES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM Verenium Corporation (US) 2009-03-04 EP claimed
WO-2008118176-A2 LASE ENZYMES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2008-10-02 WO claimed
US-20070004622-A1 Imidazole derivative, process for producing the same, and use REGEN BIOTECH, INC. (KR) 2007-01-04 US claimed
EP-1620122-A1 USE OF A PEPTIDE THAT INTERACTS WITH ALPHA V BETA3 INTEGRIN OF ENDOTHELIAL CELL Regen Biotech Inc. (KR) 2006-02-01 EP claimed
WO-2004087193-A1 USE OF A PEPTIDE THAT INTERACTS WITH ALPHA V BETA3 INTEGRIN OF ENDOTHELIAL CELL REGEN BIOTECH INC.. (KR) 2004-10-14 WO claimed
CN-117903204-A Design of metalloenzyme based on gene codon extension technology intracellular coding phosphine ligand 中国科学院生物物理研究所 2024-04-19 CN disclosed
EP-4301154-A1 MEAT ALTERNATIVE FORMULATION Motif Foodworks, Inc. (US) 2024-01-10 EP disclosed
US-5866683-A Isoelectric point markers for isoelectric focusing with fluorescence detection LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 1999-02-02 US disclosed
EP-0744614-A2 Isoelectric point markers for isoelectric focusing with fluorescence detection Laboratory of Molecular Biophotonics (JP) 1996-11-27 EP disclosed
WO-1990002812-A1 METHODS FOR PRODUCING GONADOTROPIN AND TSH SUPER-AGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1990-03-22 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-20150148520-A1 SINGLE-CHAIN INSULIN AGONISTS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR IGF1R, GPR119, IRS1 ITGB3 1945/4885ITGA2B 1712/4885PTPN1 442/4885
US-20130203665-A1 SINGLE-CHAIN INSULIN AGONISTS EXHIBITING HIGH ACTIVITY AT THE INSULIN RECEPTOR IGF1R, GPR119, IRS1 ITGB3 1945/4885ITGA2B 1712/4885PTPN1 442/4885

“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.