SCHEMBL1155835

SCHEMBL1155835

CCCCCCCCCC/C(=C(/C)C(=O)O)N(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.58
FNTB P49356 2/20 0.58
THRB P10828 1/20 0.58
PGGT1B P53609 1/20 0.58
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL499573 1.00 FNTA (0.58) FNTAFNTBTHRBPGGT1BGPR84
SCHEMBL8110711 1.00 FNTA (0.58) FNTAFNTBTHRBPGGT1BGPR84
SCHEMBL8849858 1.00 FNTA (0.58) FNTAFNTBTHRBPGGT1BGPR84
SCHEMBL28115801 1.00 FNTA (0.58) FNTAFNTBTHRBPGGT1BGPR84
SCHEMBL8110720 1.00 FNTA (0.58) FNTAFNTBTHRBPGGT1BGPR84
SCHEMBL8850037 1.00 FNTA (0.58) FNTAFNTBTHRBPGGT1BGPR84
SCHEMBL9321801 1.00 FNTA (0.58) FNTAFNTBTHRBPGGT1BGPR84
SCHEMBL8849992 1.00 FNTA (0.58) FNTAFNTBTHRBPGGT1BGPR84
SCHEMBL9321820 0.98 FNTA (0.55) FNTAFNTBTHRBPGGT1BGPR84
SCHEMBL9321835 0.98 FNTA (0.55) FNTAFNTBTHRBPGGT1BGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
EP-2152266-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS ASSOCIATED WITH SALT OR FLUID RETENTION Ironwood Pharmaceuticals, Inc. (US) 2010-02-17 EP disclosed
WO-2008137318-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS ASSOCIATED WITH SALT OR FLUID RETENTION IRONWOOD PHARMACEUTICALS, INC. (US) 2008-11-13 WO 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 FNTA 1992/4885FNTB 2601/4885THRB 1932/4885
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 FNTA 2335/4885FNTB 3142/4885THRB 2694/4885
US-20110033505-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF ION IMBALANCES SLC10A1, SLC9A5, SLC9A3 FNTA 1992/4885FNTB 2601/4885THRB 1932/4885
US-20050220750-A1 Methods and compositions for treatment of ion imbalances SLC10A1, SLC9A5, SLC9A3 FNTA 1992/4885FNTB 2601/4885THRB 1932/4885

“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.