SCHEMBL875592

SCHEMBL875592

CN[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.54
USP2 O75604 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.37
OR51E2 Q9H255 1/20 0.36
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL17537229 0.83 KDM4E (0.48) PDE4AUSP2SLCO1B1KDM4ELMNA
SCHEMBL13010838 0.82 KDM4E (0.47) PDE4AUSP2SLCO1B1KDM4ELMNA
SCHEMBL13010836 0.82 KDM4E (0.47) PDE4AUSP2SLCO1B1KDM4ELMNA
SCHEMBL468790 0.80 PDE4A (0.50) PDE4AUSP2SLCO1B1KDM4ELMNA
SCHEMBL468705 0.80 PDE4A (0.50) PDE4AUSP2SLCO1B1KDM4ELMNA
SCHEMBL15872065 0.80 PDE4A (0.50) PDE4AUSP2SLCO1B1KDM4ELMNA
SCHEMBL27182003 0.80 PDE4A (0.50) PDE4AUSP2SLCO1B1KDM4ELMNA
SCHEMBL468798 0.80 PDE4A (0.50) PDE4AUSP2SLCO1B1KDM4ELMNA
SCHEMBL13026582 0.80 PDE4A (0.50) PDE4AUSP2SLCO1B1KDM4ELMNA
SCHEMBL11225324 0.80 PDE4A (0.50) PDE4AUSP2SLCO1B1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253226-B1 AQUEOUS ALCALINE INJECTABLE SOLUTION OF TORASEMID READY FOR USE AND PROCESS FOR PREPARATION THEREOF Roche Diagnostics GmbH (DE) 1990-06-06 EP claimed
EP-0253226-A1 Aqueous alcaline injectable solution of torasemid ready for use and process for preparation thereof Roche Diagnostics GmbH (DE) 1988-01-20 EP claimed
EP-3318555-B1 BIFUNCTIONAL CHELATING AGENTS BWXT MEDICAL LTD (CA) 2023-08-16 EP disclosed
EP-3318555-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2018-05-09 EP disclosed
EP-2536691-B1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-11-22 EP disclosed
US-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 US disclosed
EP-2619210-A1 PROCESS FOR CHELATING COPPER IONS USING CB-TE2A BIFUNCTIONAL CHELATE Nordion (Canada) Inc. (CA) 2013-07-31 EP disclosed
EP-2536691-A1 BIFUNCTIONAL CHELATING AGENTS Nordion (Canada) Inc. (CA) 2012-12-26 EP disclosed
US-20120095185-A1 PROCESS FOR CHELATING COPPER IONS USING CB-TE2A BIFUNCTIONAL CHELATE NORDION (CANADA) INC. (CA) 2012-04-19 US disclosed
WO-2012037648-A1 PROCESS FOR CHELATING COPPER IONS USING CB-TE2A BIFUNCTIONAL CHELATE NORDION (CANADA) INC. (CA) 2012-03-29 WO disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 US disclosed
WO-2011100829-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. (CA) 2011-08-25 WO disclosed
EP-0253226-B1 AQUEOUS ALCALINE INJECTABLE SOLUTION OF TORASEMID READY FOR USE AND PROCESS FOR PREPARATION THEREOF Roche Diagnostics GmbH (DE) 1990-06-06 EP disclosed
US-4861786-A Composition for a stable vein compatible injectable solution of torasemide process for the preparation and method of use BOEHRINGER MANNHEIM GMBH (DE) 1989-08-29 US disclosed
EP-0253226-A1 Aqueous alcaline injectable solution of torasemid ready for use and process for preparation thereof Roche Diagnostics GmbH (DE) 1988-01-20 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 (2 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-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS FCGRT, C1QBP, H1-2 PDE4A 4567/4885USP2 2641/4885SLCO1B1 106/4885
US-20120095185-A1 PROCESS FOR CHELATING COPPER IONS USING CB-TE2A BIFUNCTIONAL CHELATE TBCA, UBE2G2, COPG2 PDE4A 4630/4885USP2 232/4885SLCO1B1 1596/4885

“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.