SCHEMBL8512409

SCHEMBL8512409

O=C(O)CCCN1CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
MAPK1 P28482 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HSD17B10 Q99714 1/20 0.47
GLA P06280 1/20 0.44
LMNA P02545 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
PAOX Q6QHF9 1/20 0.41
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
KDM1A O60341 1/20 0.39
SLC6A9 P48067 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL23854090 1.00 CYP1A2 (0.67) CYP1A2MAPK1SMN1; SMN2HSD17B10GLA
SCHEMBL5032303 0.94 CYP1A2 (0.59) CYP1A2MAPK1SMN1; SMN2HSD17B10GLA
SCHEMBL5032288 0.92 CYP1A2 (0.57) CYP1A2MAPK1SMN1; SMN2HSD17B10GLA
SCHEMBL8514419 0.92 CYP1A2 (0.57) CYP1A2MAPK1SMN1; SMN2HSD17B10GLA
SCHEMBL8947664 0.91
SCHEMBL8377176 0.91 CYP1A2 (0.78) CYP1A2MAPK1SMN1; SMN2GLALMNA
SCHEMBL25212790 0.89 CYP1A2 (0.55) CYP1A2MAPK1SMN1; SMN2HSD17B10LMNA
SCHEMBL9644791 0.89 HSD17B10 (0.52) CYP1A2MAPK1SMN1; SMN2HSD17B10GLA
SCHEMBL5015980 0.88 CYP1A2 (0.53) CYP1A2MAPK1SMN1; SMN2HSD17B10LMNA
SCHEMBL8685695 0.86 GLA (0.57) CYP1A2MAPK1SMN1; SMN2HSD17B10GLA

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 7 patents. 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
US-8545809-B2 Methods and compositions for improved 18F labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-10-01 US 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
CN-114072177-A Site-specific kinetic inert conjugation of tags and/or vectors to target molecules, e.g., His-tagged proteins, via metal complex reagents 马克思—普朗克科学促进协会公司 2022-02-18 CN disclosed
CN-113993548-A Site-specific kinetic inert conjugation of tags and/or vectors to target molecules, e.g., His-tagged proteins, via metal complex reagents 马克思—普朗克科学促进协会公司 2022-01-28 CN 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-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS CYP1A2 4880/4885MAPK1 4667/4885SMN1; SMN2 1351/4885
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS CYP1A2 4880/4885MAPK1 4667/4885SMN1; SMN2 1351/4885
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS CYP1A2 4880/4885MAPK1 4667/4885SMN1; SMN2 1351/4885

“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.