SCHEMBL160784

SCHEMBL160784

NC1(OC=O)CCC(O)CC1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3360803 0.80
SCHEMBL61083 0.78
Hydrochloric Acid SCHEMBL8681308 0.76
SCHEMBL61974 0.74
SCHEMBL61735 0.74
Hydrochloric Acid SCHEMBL5960763 0.74
SCHEMBL61654 0.72 TSHR (0.32)
SCHEMBL60474 0.72 TSHR (0.32)
Hydrochloric Acid SCHEMBL29152267 0.72
Hydrochloric Acid SCHEMBL3168559 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-12023391-B2 Alpha(v)beta(6) integrin-binding peptides and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-02 US disclosed
WO-2024127333-A1 CYTOTOXIC COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2024-06-20 WO disclosed
WO-2024127332-A1 CYTOTOXIC COMPOUNDS PHEON THERAPEUTICS LTD (GB) 2024-06-20 WO disclosed
WO-2024077212-A2 SITE-SPECIFIC COVALENT LIGATION OF HUMAN SERUM ALBUMIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-04-11 WO disclosed
US-20240101601-A1 BI-TERMINAL PEGYLATED INTEGRIN-BINDING PEPTIDES AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-28 US disclosed
CN-109563135-B Alpha (V) beta (6) integrin binding peptides and methods of use thereof 加利福尼亚大学董事会 2024-01-23 CN disclosed
WO-2008036449-A9 CHEMICAL ANTIBODIES FOR IMMUNOTHERAPY AND IMAGING UNIV CALIFORNIA (US) 2009-02-12 WO disclosed
WO-2008036449-A2 CHEMICAL ANTIBODIES FOR IMMUNOTHERAPY AND IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-27 WO disclosed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 WO disclosed
WO-2005122379-A9 ALPHA-4 BETA-1 INTEGRIN LIGANDS FOR IMAGING AND THERAPY UNIV CALIFORNIA (US) 2006-03-09 WO disclosed
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 disclosed
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 disclosed
US-20050256056-A1 Peptide inhibitors of HIV THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER UNIVERSITY OF CALIFORNIA (US) 2005-11-17 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 (3 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 SLC6A4 1963/4885SLC6A3 2872/4885
US-20050256056-A1 Peptide inhibitors of HIV VIP, NGLY1, PEPD SLC6A4 3836/4885SLC6A3 4009/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 SLC6A4 1295/4885SLC6A3 2646/4885

“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.