SCHEMBL5555355

SCHEMBL5555355

O=C(O)CN1CCN(CC(=O)O)CCN(CC(O)COCCOCCN=C=S)CCN(CC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 2/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NAAA Q02083 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
HSP90AB1 P08238 3/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5551327 0.97 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL15834423 0.82 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL5551506 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL9615184 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL5555359 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL13541637 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL5555323 0.77 SLC6A9 (0.36) USP2KMT2AMEN1
SCHEMBL21320725 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL5557273 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2ALOX15POLB
SCHEMBL12605180 0.76 KDM4E (0.46) ALDH1A1KDM4EUSP2ALOX15POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5876698-A Macrocyclic polymer complexing agents, their complexes, process for their production and pharmaceutical agents containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-02 US claimed
US-7208139-B2 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain SCHERING AG (DE) 2007-04-24 US disclosed
US-20050118105-A1 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-06-02 US disclosed
US-6855309-B2 For use in diagnostics and therapy SCHERING, AG (DE) 2005-02-15 US disclosed
US-20030232017-A1 For use in diagnostics and therapy BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-12-18 US disclosed
US-6576222-B2 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
US-20020068037-A1 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease SCHERING AG (DE) 2002-06-06 US disclosed
US-6299859-B1 ADMINISTERING CONTRAST AGENT COMPRISING CASCADE POLYMER COMPLEX AND NUCLEAR MAGNETIC RESONANCE IMAGING TISSUES FOR DIFFERENTIATING ISCHEMIC AND/OR INFRACTED TISSUE FROM NORMAL TISSUES SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-09 US disclosed
US-6193950-B1 FOR DIAGNOSIS AND THERAPY SCHERING AG (DE) 2001-02-27 US disclosed
US-6183724-B1 ADMINISTERING A CONTRAST AGENT FOR NMR IMAGING THE BLOOD VESSELS, SIZE LARGE ENOUGH FOR ITS RETENTION IN THE BLOOD VESSELS AND SMALL ENOUGH FOR ITS EXCRETION SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
US-6054117-A NUCLEAR MAGNETIC RESONANCE CONTRAST MEDIA FOR DIAGNOSTICS AND THERAPY; PHYSIOLOGICALLY ACCEPTABLE EXCRETION SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
EP-0430863-B2 Complexe builders bonded to sterwise prepared polymers, their complexes and conjugates, process for their preparation and pharmaceutical agents containing the same SCHERING AG (DE) 1999-08-25 EP disclosed
US-5911971-A NMR CONTRAST MEDIA WHICH CAN MARK THE VASAL SPACE (BLOOD POOL AGENT); UNIFORM AND HIGH ENOUGH MOLECULAR WEIGHT TO BE RETAINED IN BLOOD VESSEL BUT SMALL ENOUGH TO BE ELIMINATED BY THE KIDNEY; POLYAMINOAMIDES; MACROMOLECULES SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-15 US disclosed
US-5876698-A Macrocyclic polymer complexing agents, their complexes, process for their production and pharmaceutical agents containing these compounds SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed
EP-0512661-B1 Macrocyclic polymer-complexing, their complexes, method for their production and pharmaceutical agents containing them SCHERING AG (DE) 1998-01-14 EP disclosed
US-5650136-A Cascade polymer bound complexing compounds, their complexes and conjugates, processes for their production, and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-22 US disclosed
US-5364614-A Cascade polymer bound chelating compounds, their chelates and conjugates, processes for their production, and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
EP-0512661-A1 Macrocyclic polymer-complexing, their complexes, method for their production and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-11 EP disclosed
EP-0430863-A2 Complexe builders bonded to sterwise prepared polymers, their complexes and conjugates, process for their preparation and pharmaceutical agents containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-05 EP 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-20020068037-A1 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease CAD, APOB, SLC7A1 ALDH1A1 4841/4885KDM4E 4688/4885USP2 4755/4885
US-20030232017-A1 For use in diagnostics and therapy TFPI, BCAT2, OAT ALDH1A1 3976/4885KDM4E 4762/4885USP2 4539/4885
US-20050118105-A1 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain FABP7, SLC1A3, SLC43A1 ALDH1A1 4833/4885KDM4E 4731/4885USP2 4682/4885

“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.