SCHEMBL4099261

SCHEMBL4099261

CC(=O)CCC(=O)O[C@H]1C[C@H](n2cc(I)c(=O)[nH]c2=O)O[C@@H]1CO

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TK1 P04183 4/20 0.61
SLC6A2 P23975 1/20 0.55
RNASE1 P07998 1/20 0.55
PYGM P11217 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TK2 O00142 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL774263 0.89 RNASE1 (0.68) TK1SLC6A2RNASE1LMNATK2
SCHEMBL14681227 0.89 RNASE1 (0.68) TK1SLC6A2RNASE1LMNATK2
SCHEMBL16287348 0.89 RNASE1 (0.68) TK1SLC6A2RNASE1LMNATK2
SCHEMBL767324 0.89 RNASE1 (0.68) TK1SLC6A2RNASE1LMNATK2
SCHEMBL12712226 0.89 TK1 (0.67) TK1SLC6A2RNASE1PYGMLMNA
SCHEMBL1566532 0.89 TK1 (0.67) TK1SLC6A2RNASE1PYGMLMNA
SCHEMBL1566533 0.89 TK1 (0.67) TK1SLC6A2RNASE1PYGMLMNA
SCHEMBL13314169 0.89 TK1 (0.67) TK1SLC6A2RNASE1PYGMLMNA
SCHEMBL11577542 0.88 SLC6A2 (0.61) TK1SLC6A2RNASE1TK2
SCHEMBL11577543 0.88 SLC6A2 (0.61) TK1SLC6A2RNASE1TK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10874752-B2 MIBG analogs and uses thereof BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2020-12-29 US disclosed
US-20200046861-A1 TARGETED RADIOLABELED COMPOUNDS AND THEIR USE FOR THE TREATMENT AND DIAGNOSIS OF CANCER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2020-02-13 US disclosed
US-20180256761-A1 MIBG ANALOGS AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2018-09-13 US disclosed
EP-3352746-A1 MIBG ANALOGS AND USES THEREOF Board of Regents of the University of Nebraska (US) 2018-08-01 EP disclosed
US-20170151355-A1 TARGETED RADIOLABELED COMPOUNDS AND THEIR USE FOR THE TREATMENT AND DIAGNOSIS OF CANCER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2017-06-01 US disclosed
WO-2017053834-A1 MIBG ANALOGS AND USES THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2017-03-30 WO disclosed
US-9315534-B2 Radiologic agents for monitoring alzheimer's disease progression and Evaluating a Response to Therapy and processes for the preparation of such agents BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2016-04-19 US disclosed
US-20120269725-A1 TARGETED RADIOLABELED COMPOUNDS AND THEIR USE FOR THE TREATMENT AND DIAGNOSIS OF CANCER US ARMY, SECRETARY OF THE ARMY 2012-10-25 US disclosed
US-20090117041-A1 Radiologic Agents for Monitoring Alzheimer's Disease Progression and Evaluating a Response to Therapy and Processes for the Preparation of Such Agents US ARMY, SECRETARY OF THE ARMY 2009-05-07 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 (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-10874752-B2 MIBG analogs and uses thereof SLC6A2, SLC18A2, SLC18A3 TK1 212/4885SLC6A2 1/4885RNASE1 1773/4885
US-20180256761-A1 MIBG ANALOGS AND USES THEREOF SLC6A2, SLC18A2, SLC18A3 TK1 212/4885SLC6A2 1/4885RNASE1 1773/4885
US-20200046861-A1 TARGETED RADIOLABELED COMPOUNDS AND THEIR USE FOR THE TREATMENT AND DIAGNOSIS OF CANCER NTPCR, BCHE, DUT TK1 19/4885SLC6A2 1176/4885RNASE1 899/4885
US-20090117041-A1 Radiologic Agents for Monitoring Alzheimer's Disease Progression and Evaluating a Response to Therapy and Processes for the Preparation of Such Agents TYMP, UMPS, TYMS TK1 17/4885SLC6A2 760/4885RNASE1 3787/4885
US-20120269725-A1 TARGETED RADIOLABELED COMPOUNDS AND THEIR USE FOR THE TREATMENT AND DIAGNOSIS OF CANCER NTPCR, TYMP, DUT TK1 34/4885SLC6A2 1567/4885RNASE1 1138/4885
US-20170151355-A1 TARGETED RADIOLABELED COMPOUNDS AND THEIR USE FOR THE TREATMENT AND DIAGNOSIS OF CANCER NTPCR, TYMP, DUT TK1 34/4885SLC6A2 1567/4885RNASE1 1138/4885

“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.