SCHEMBL7746029

SCHEMBL7746029

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.56
ITGA2B P08514 7/20 0.56
CACNA1B Q00975 1/20 0.56
ITGAV P06756 3/20 0.49
ITGB5 P18084 2/20 0.49
ITGB1 P05556 2/20 0.49
ITGA5 P08648 2/20 0.49
CTSG P08311 1/20 0.49
MC4R P32245 4/20 0.49
MC5R P33032 4/20 0.49
MC3R P41968 4/20 0.49
MC1R Q01726 4/20 0.49
CD2 P06729 1/20 0.48
CD58 P19256 1/20 0.48
GNAI1 P63096 1/20 0.48
CXCR4 P61073 1/20 0.48
KDM4A O75164 1/20 0.48

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
SCHEMBL24454392 1.00 ITGB3 (0.56) ITGB3ITGA2BCACNA1BITGAVITGB5
SCHEMBL19018807 1.00 ITGB3 (0.56) ITGB3ITGA2BCACNA1BITGAVITGB5
SCHEMBL15308347 1.00 ITGB3 (0.56) ITGB3ITGA2BCACNA1BITGAVITGB5
SCHEMBL23839922 1.00 ITGB3 (0.56) ITGB3ITGA2BCACNA1BITGAVITGB5
SCHEMBL29393726 0.96 ITGB3 (0.59) ITGB3ITGA2BCACNA1BITGAVITGB5
SCHEMBL16938095 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL18968795 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL13107808 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL21475019 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1
SCHEMBL19581486 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160905-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2022-05-26 US claimed
US-20260108638-A1 68GA- AND 64CU -NODAGA-E[C(RGDYK)]2 FOR USE AS PET TRACERS IN THE IMAGING OF ANGIOGENESIS IN HUMANS RIGSHOSPITALET (DK) 2026-04-23 US disclosed
US-12521454-B2 68Ga- and 64Cu-NODAGA-E[c(RGDyK)]2 for use as PET tracers in the imaging of angiogenesis in humans RIGSHOSPITALET (DK) 2026-01-13 US disclosed
WO-2025097185-A1 COMPOSITIONS AND METHODS FOR PREVENTING MICROBIAL-MEDIATED DISEASE CUTLER RICHELLE (US) 2025-05-08 WO disclosed
EP-4527393-A1 SURFACE-MODIFIED NANODIAMOND Kyoto University (JP) 2025-03-26 EP disclosed
CN-119173267-A Surface-modified nanodiamond 国立大学法人京都大学 2024-12-20 CN disclosed
US-20240408220-A1 PEPTIDE DENDRONS AND METHODS OF USE THEREOF ASTRAZENECA PHARMACEUTICALS LP 2024-12-12 US disclosed
EP-4412662-A1 PEPTIDE DENDRONS AND METHODS OF USE THEREOF Astrazeneca AB (SE) 2024-08-14 EP disclosed
WO-2023223962-A1 SURFACE-MODIFIED NANODIAMOND 国立大学法人京都大学 2023-11-23 WO disclosed
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE ST. JOHN'S CANCER INSTITUTE (US) 2023-09-28 US disclosed
US-9234007-B2 RGD mimetic γ-AApeptides and methods of use UNIVERSITY OF SOUTH FLORIDA (US) 2016-01-12 US disclosed
US-20150291608-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-10-15 US disclosed
US-9079867-B2 Polyazamacrocyclic compound, and a production method and a biomedical use therefor KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-07-14 US disclosed
US-9079867-B2 Polyazamacrocyclic compound, and a production method and a biomedical use therefor KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-07-14 US disclosed
US-9061078-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-06-23 US disclosed
WO-2014197763-A1 MOLECULAR DESIGN TOWARD DUAL-MODALITY PROBES FOR RADIOISOTOPE-BASED IMAGING (PET OR SPECT) AND MRI THE BOARD OF REGENTS OF THE UNIVERSITY OF TEAS SYSTEM (US) 2014-12-11 WO disclosed
US-20130189185-A1 Boron-Based Dual Imaging Probes, Compositions and Methods for Rapid Aqueous F-18 Labeling, and Imaging Methods Using Same UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2013-07-25 US disclosed
US-20130004423-A1 POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2013-01-03 US disclosed
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2012-08-30 US disclosed
US-6537520-B1 Diagnosis and treatment of cancer; kit containing compound having peptide or peptidomimetic functionality that binds to a alpha v beta 3 receptor linked to a chelator BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-25 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 (8 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-20260108638-A1 68GA- AND 64CU -NODAGA-E[C(RGDYK)]2 FOR USE AS PET TRACERS IN THE IMAGING OF ANGIOGENESIS IN HUMANS VEGFA, FLT1, HIF1A ITGB3 324/4885ITGA2B 630/4885CACNA1B 1246/4885
US-20150291608-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF TBCA, NBAS, BMP2 ITGB3 3342/4885ITGA2B 1874/4885CACNA1B 1226/4885
US-20220160905-A1 FLUORINATION METHOD AFF2, AFF1, AFF4 ITGB3 1236/4885ITGA2B 1633/4885CACNA1B 3211/4885
US-20130004423-A1 POLYAZAMACROCYCLIC COMPOUND, AND A PRODUCTION METHOD AND A BIOMEDICAL USE THEREFOR SLC39A11, VIP, PBDC1 ITGB3 4455/4885ITGA2B 3728/4885CACNA1B 1503/4885
US-20230303577-A1 TEMOZOLOMIDE ANALOGS AND METHODS OF USE MGMT, TOP2B, IDH3B ITGB3 1566/4885ITGA2B 1227/4885CACNA1B 1830/4885
US-20130189185-A1 Boron-Based Dual Imaging Probes, Compositions and Methods for Rapid Aqueous F-18 Labeling, and Imaging Methods Using Same CBR3, SLC38A7, SLC6A19 ITGB3 2831/4885ITGA2B 3901/4885CACNA1B 569/4885
US-20120219495-A1 NOVEL TETRAAZA MACROCYCLIC COMPOUND, PREPARATION METHOD THEREOF AND USE THEREOF TBCA, NBAS, BMP2 ITGB3 3342/4885ITGA2B 1874/4885CACNA1B 1226/4885
US-20240408220-A1 PEPTIDE DENDRONS AND METHODS OF USE THEREOF VIP, NGLY1, PROKR1 ITGB3 630/4885ITGA2B 882/4885CACNA1B 4139/4885

“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.