SCHEMBL8510307

SCHEMBL8510307

NCCCCN1CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
ALOX15 P16050 1/20 0.41
KEAP1 Q14145 1/20 0.41

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
SCHEMBL8033814 0.94 SMN1; SMN2 (0.47) SIGMAR1HSD17B10SMN1; SMN2CYP1A2MAPK1
SCHEMBL8512446 0.94 SMN1; SMN2 (0.47) SIGMAR1HSD17B10SMN1; SMN2CYP1A2MAPK1
SCHEMBL20366148 0.94 SMN1; SMN2 (0.47) SIGMAR1HSD17B10SMN1; SMN2CYP1A2MAPK1
SCHEMBL18118447 0.93 PAOX (0.50) SIGMAR1HSD17B10
SCHEMBL15694290 0.91 SIGMAR1 (0.41) SIGMAR1HSD17B10SMN1; SMN2CYP1A2MAPK1
SCHEMBL30291153 0.85 ALOX15 (0.59) SIGMAR1HSD17B10SMN1; SMN2CYP1A2MAPK1
SCHEMBL1643026 0.85 ALOX15 (0.59) SIGMAR1HSD17B10SMN1; SMN2CYP1A2MAPK1
SCHEMBL1608653 0.85 ALOX15 (0.59) SIGMAR1HSD17B10SMN1; SMN2CYP1A2MAPK1
SCHEMBL34418 0.85 ALOX15 (0.59) SIGMAR1HSD17B10SMN1; SMN2CYP1A2MAPK1
SCHEMBL9644791 0.85 HSD17B10 (0.52) HSD17B10SMN1; SMN2CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2014-12-25 US claimed
US-8758726-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-06-24 US claimed
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-01-16 US claimed
EP-2651411-A2 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES Immunomedics, Inc. (US) 2013-10-23 EP claimed
US-8545809-B2 Methods and compositions for improved 18F labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-10-01 US claimed
WO-2012082618-A2 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS, INC. (US) 2012-06-21 WO claimed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 US claimed
EP-2651411-B1 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS INC (US) 2020-09-16 EP disclosed
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2017-10-05 US disclosed
US-20160199524-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING IMMUNOMEDICS, INC. 2016-07-14 US disclosed
US-20150307524-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2015-10-29 US disclosed
US-9115172-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2015-08-25 US disclosed
WO-2015073678-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY ENDOCYTE, INC. (US) 2015-05-21 WO disclosed
US-8889100-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-11-18 US disclosed
US-20140228541-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-08-14 US disclosed
US-8758726-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-06-24 US disclosed
US-8709382-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-04-29 US disclosed
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-01-16 US disclosed
US-8545809-B2 Methods and compositions for improved 18F labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-10-01 US disclosed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 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 (7 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-20160199524-A1 RADIOSENSITIVITY OF FLUOROPHORES AND USE OF RADIOPROTECTIVE AGENTS FOR DUAL-MODALITY IMAGING BRS3, BRCA1, MRE11 SIGMAR1 1684/4885HSD17B10 4806/4885SMN1; SMN2 2051/4885
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS SIGMAR1 4097/4885HSD17B10 4778/4885SMN1; SMN2 1351/4885
US-20140228541-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 SIGMAR1 4122/4885HSD17B10 4694/4885SMN1; SMN2 1370/4885
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS SIGMAR1 4097/4885HSD17B10 4778/4885SMN1; SMN2 1351/4885
US-20150307524-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 SIGMAR1 4122/4885HSD17B10 4694/4885SMN1; SMN2 1370/4885
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS SIGMAR1 4097/4885HSD17B10 4778/4885SMN1; SMN2 1351/4885
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 SIGMAR1 4122/4885HSD17B10 4694/4885SMN1; SMN2 1370/4885

“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.