SCHEMBL159869

SCHEMBL159869

NC(Cc1cccc(I)c1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 8/20 0.65
PTGS1 P23219 2/20 0.65
ALPI P09923 1/20 0.65
PKM P14618 1/20 0.65
XIAP P98170 1/20 0.65
GRIA2 P42262 1/20 0.60
NOS3 P29474 3/20 0.59
NOS1 P29475 3/20 0.59
NOS2 P35228 3/20 0.59
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
EGFR P00533 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
ALOX15 P16050 1/20 0.56
HTR2A P28223 1/20 0.56
PTGS2 P35354 1/20 0.56
RECQL P46063 1/20 0.56
HIF1A Q16665 1/20 0.56

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
SCHEMBL29540085 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29568166 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL159870 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL14935913 1.00 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL14940391 0.98 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL14940210 0.98 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL14940208 0.98 SLC7A5 (0.62) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2314258 0.87 SLC7A5 (0.77) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1820728 0.86 SLC1A1 (0.69) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1817875 0.86 SLC1A1 (0.69) SLC7A5PTGS1ALPIPKMXIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187811-B2 Cyclic peptide compound simulating natural product structure, and method for preparation thereof NANKAI UNIVERSITY (CN) 2025-01-07 US claimed
US-20220315623-A1 Cyclic Peptide Compound Simulating Natural Product Structure, And Method For Preparation Thereof NANKAI UNIVERSITY (CN) 2022-10-06 US claimed
CN-113481228-A Microorganism unnatural amino acid introduction system and construction method 中国药科大学 2021-10-08 CN claimed
CN-110183513-B Cyclopeptide compound simulating structure of natural product and preparation method thereof 南开大学 2021-04-27 CN claimed
WO-2020228097-A1 CYCLIC PEPTIDE COMPOUND SIMULATING NATURAL PRODUCT STRUCTURE, AND METHOD FOR PREPARATION THEREOF 南开大学 2020-11-19 WO claimed
WO-2019179985-A1 INHIBITORS OF MINT AND USES THEREOF UNIVERSITY OF COPENHAGEN (DK) 2019-09-26 WO claimed
CN-110183513-A A kind of cyclic peptide compounds and preparation method thereof for simulating Structures of Natural Products 南开大学 2019-08-30 CN claimed
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 US claimed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 US claimed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US claimed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 WO claimed
WO-2005122379-A9 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY UNIV CALIFORNIA (US) 2006-03-09 WO claimed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 US claimed
WO-2005122379-A2 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-22 WO claimed
EP-4747882-A1 DATA STORAGE USING PROTEINS The Hong Kong Polytechnic University (CN) 2026-05-27 EP disclosed
US-20260083852-A1 PROTEOGLYCAN MIMETICS FOR ENHANCED WOUND HEALING, ANGIOGENESIS, AND VASCULAR REPAIR UNIV CALIFORNIA (US) 2026-03-26 US disclosed
US-12565517-B2 Cyclic peptide having CTLA-4 inhibitory activity and use thereof GENEFRONTIER CORPORATION (JP) 2026-03-03 US disclosed
US-4766110-A INHIBITS ANGIOTENSIN CONVERTING ENZYME, HYPOTENSIVE AGENTS RYAN JAMES W (US) 1988-08-23 US disclosed
EP-0073143-B1 NOVEL COMPLEX AMIDO AND IMIDO DERIVATIVES OF CARBOXYALKYL PEPTIDES AND THIOETHERS AND ETHERS OF PEPTIDES Ryan, James Walter (US) 1985-11-21 EP disclosed
EP-0073143-A2 Novel complex amido and imido derivatives of carboxyalkyl peptides and thioethers and ethers of peptides Ryan, James Walter (US) 1983-03-02 EP 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 (6 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-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 SLC7A5 258/4885PTGS1 3498/4885ALPI 3224/4885
US-12565517-B2 Cyclic peptide having CTLA-4 inhibitory activity and use thereof CXCL10, MLX, MICA SLC7A5 1811/4885PTGS1 4560/4885ALPI 1537/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 SLC7A5 576/4885PTGS1 3492/4885ALPI 3006/4885
US-20260083852-A1 PROTEOGLYCAN MIMETICS FOR ENHANCED WOUND HEALING, ANGIOGENESIS, AND VASCULAR REPAIR PDGFA, DCLRE1A, PDGFRA SLC7A5 2952/4885PTGS1 2338/4885ALPI 4206/4885
US-20220315623-A1 Cyclic Peptide Compound Simulating Natural Product Structure, And Method For Preparation Thereof VIP, PTMS, NPPA SLC7A5 234/4885PTGS1 2764/4885ALPI 4001/4885
US-12187811-B2 Cyclic peptide compound simulating natural product structure, and method for preparation thereof VIP, PTMS, NPPA SLC7A5 190/4885PTGS1 2664/4885ALPI 4089/4885

“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.