SCHEMBL1155838

SCHEMBL1155838

CCC(C(=O)O)=C(C)CCCCCCCCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.52
THRB P10828 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
PLG P00747 1/20 0.48
ALOX15 P16050 1/20 0.48
SLC6A2 P23975 1/20 0.48
RECQL P46063 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
PGGT1B P53609 1/20 0.44
BLM P54132 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 3/20 0.37
GABRR3 A8MPY1 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
SCHEMBL4746775 0.92 THRB (0.44) PAOXTHRBKMT2AALDH1A1LMNA
SCHEMBL11476302 0.84 FNTA (0.62) THRBKMT2AALDH1A1MEN1ALOX15
SCHEMBL523846 0.84 THRB (0.36) PAOXTHRBKMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL9636093 0.82 THRB (0.35) PAOXTHRBKMT2AALDH1A1LMNA
Bromide SCHEMBL7686683 0.82 THRB (0.35) PAOXTHRBKMT2AALDH1A1LMNA
SCHEMBL3259746 0.82 FNTA (0.59) THRBKMT2AALDH1A1MEN1ALOX15
SCHEMBL3259749 0.82 FNTA (0.59) THRBKMT2AALDH1A1MEN1ALOX15
SCHEMBL1934407 0.80 PAOX (0.45) PAOXTHRBKMT2AALDH1A1LMNA
Chloromethane SCHEMBL6137819 0.80 THRB (0.34) PAOXTHRBKMT2AALDH1A1LMNA
SCHEMBL8930241 0.76 FNTA (0.45) THRBKMT2AALDH1A1MEN1ALOX15

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 12 patents. 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 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-20110033505-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES RELYPSA, INC. (US) 2011-02-10 US disclosed
US-7854924-B2 Methods and compositions for treatment of ion imbalances RELYPSA, INC. (US) 2010-12-21 US disclosed
US-7776319-B2 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 RELYPSA, INC. (US) 2010-08-17 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 (4 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 PAOX 1577/4885THRB 1932/4885KMT2A 4639/4885
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 PAOX 3346/4885THRB 2694/4885KMT2A 4506/4885
US-20110033505-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES SLC10A1, SLC9A5, SLC9A3 PAOX 1577/4885THRB 1932/4885KMT2A 4639/4885
US-20050220750-A1 Methods and compositions for treatment of ion imbalances SLC10A1, SLC9A5, SLC9A3 PAOX 1577/4885THRB 1932/4885KMT2A 4639/4885

“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.