SCHEMBL612765

SCHEMBL612765

CCCCCCCCCCC(C=C(C)C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.42
CA1 P00915 2/20 0.41
LCK P06239 1/20 0.40
PPARD Q03181 1/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
GPR84 Q9NQS5 5/20 0.39
FFAR1 O14842 1/20 0.37
FABP3 P05413 3/20 0.37
NFKB1 P19838 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
MAPT P10636 1/20 0.36
FAAH O00519 1/20 0.36

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
Acetic Acid SCHEMBL11744555 0.70 CA1 (0.52) CA2CA1LCKPPARDZDHHC20
SCHEMBL43306 0.68 CA2 (0.55) CA2CA1LCKPPARDZDHHC20
SCHEMBL117777 0.68 CA2 (0.55) CA2CA1LCKPPARDZDHHC20
SCHEMBL414426 0.68 CA2 (0.55) CA2CA1LCKPPARDZDHHC20
SCHEMBL17763250 0.68 CA2 (0.55) CA2CA1LCKPPARDZDHHC20
SCHEMBL17763261 0.68 CA2 (0.55) CA2CA1LCKPPARDZDHHC20
SCHEMBL17763256 0.68 CA2 (0.55) CA2CA1LCKPPARDZDHHC20
SCHEMBL120131 0.68 CA2 (0.55) CA2CA1LCKPPARDZDHHC20
SCHEMBL118864 0.68 CA2 (0.55) CA2CA1LCKPPARDZDHHC20
SCHEMBL7259121 0.68 CA2 (0.55) CA2CA1LCKPPARDZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8409561-B2 Methods and compositions for treatment of ion imbalances RELYPSA, INC. (US) 2013-04-02 US claimed
US-20110033505-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES RELYPSA, INC. (US) 2011-02-10 US claimed
EP-2152266-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS ASSOCIATED WITH SALT OR FLUID RETENTION Ironwood Pharmaceuticals, Inc. (US) 2010-02-17 EP claimed
WO-2008137318-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS ASSOCIATED WITH SALT OR FLUID RETENTION IRONWOOD PHARMACEUTICALS, INC. (US) 2008-11-13 WO claimed
EP-1732524-A4 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES ILYPSA INC (US) 2007-09-19 EP claimed
EP-1732524-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES Ilypsa, Inc. (US) 2006-12-20 EP claimed
US-20060024265-A1 Administering sodium-binding polymer of a core-shell, having an in vivo sodium binding capacity of 4 mmol or more per gram of polymer for removing sodium in gastro-intestinal tract ; treatment of hypertension, chronic heart failure, end stage renal disease, liver cirrhosis, fluid overload VIFOR (INTERNATIONAL) LTD. (CH) 2006-02-02 US claimed
WO-2005094384-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES ILYPSA, INC. (US) 2005-10-13 WO claimed
US-20050220750-A1 Methods and compositions for treatment of ion imbalances SYMYX THERAPEUTICS, INC. (US) 2005-10-06 US claimed
EP-2671584-A2 Compositions and methods for treating disorders associated with salt or fluid retention Ironwood Pharmaceuticals, Inc. (US) 2013-12-11 EP disclosed
US-8409561-B2 Methods and compositions for treatment of ion imbalances RELYPSA, INC. (US) 2013-04-02 US disclosed
EP-1732524-B1 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES RELYPSA INC (US) 2012-08-22 EP disclosed
US-8147873-B2 Administering sodium binding polymer; hypotensive agents; cardiovascular disorders, liver disorders; crosslinking fluoroacrylic acid RELYPSA, INC. (US) 2012-04-03 US disclosed
US-20120040025-A9 Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention IRONWOOD PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20080260679-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES RELYPSA, INC. (US) 2008-10-23 US disclosed
EP-1732524-A4 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES ILYPSA INC (US) 2007-09-19 EP disclosed
EP-1732524-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES Ilypsa, Inc. (US) 2006-12-20 EP disclosed
US-20060024265-A1 Administering sodium-binding polymer of a core-shell, having an in vivo sodium binding capacity of 4 mmol or more per gram of polymer for removing sodium in gastro-intestinal tract ; treatment of hypertension, chronic heart failure, end stage renal disease, liver cirrhosis, fluid overload VIFOR (INTERNATIONAL) LTD. (CH) 2006-02-02 US disclosed
WO-2005094384-A2 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES ILYPSA, INC. (US) 2005-10-13 WO disclosed
US-20050220750-A1 Methods and compositions for treatment of ion imbalances SYMYX THERAPEUTICS, INC. (US) 2005-10-06 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 (5 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-20080260679-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES SLC10A1, SLC9A5, SLC9A3 CA2 35/4885CA1 318/4885LCK 2989/4885
US-20060024265-A1 Administering sodium-binding polymer of a core-shell, having an in vivo sodium binding capacity of 4 mmol or more per gram of polymer for removing sodium in gastro-intestinal tract ; treatment of hypertension, chronic heart failure, end stage renal disease, liver cirrhosis, fluid overload SLC10A2, SLC10A1, SLC9A3 CA2 123/4885CA1 588/4885LCK 4671/4885
US-20110033505-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES SLC10A1, SLC9A5, SLC9A3 CA2 35/4885CA1 318/4885LCK 2989/4885
US-20120040025-A9 Compositions and Methods for Treating Disorders Associated with Salt or Fluid Retention SLC10A2, SLC10A1, SLC26A3 CA2 285/4885CA1 640/4885LCK 4423/4885
US-20050220750-A1 Methods and compositions for treatment of ion imbalances SLC10A1, SLC9A5, SLC9A3 CA2 35/4885CA1 318/4885LCK 2989/4885

“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.