SCHEMBL15570883

SCHEMBL15570883

CC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 2/20 0.44
BLM P54132 1/20 0.44
HBB P68871 1/20 0.44
NAALAD2 Q9Y3Q0 1/20 0.41
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37
EGLN1 Q9GZT9 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL18486262 0.92 LMNA (0.43) LMNAMEN1KMT2AHIF1ABLM
SCHEMBL3574845 0.90 ALDH1A1 (0.42) LMNAMEN1KMT2AHIF1ABLM
SCHEMBL9348946 0.88 MEN1 (0.39) LMNAMEN1KMT2AHIF1ABLM
SCHEMBL11373249 0.86 PPARG (0.47) MEN1KMT2AALDH1A1ESR1TSHR
SCHEMBL44822 0.82 ALDH1A1 (0.47) LMNAMEN1KMT2AHIF1ABLM
SCHEMBL15443091 0.82 LMNA (0.44) LMNAMEN1KMT2AHIF1ABLM
Hydrochloric Acid SCHEMBL9348952 0.80 ALDH1A1 (0.46) LMNAMEN1KMT2AHIF1ABLM
SCHEMBL16378043 0.80 ALDH1A1 (0.33) LMNAALDH1A1L3MBTL1
SCHEMBL18483447 0.79 ALDH1A1 (0.41) ALDH1A1TDP1PPARGPPARA
SCHEMBL28031431 0.78 FFAR1 (0.39) LMNAMEN1KMT2AHIF1ABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10376481-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2019-08-13 US disclosed
EP-2887964-B1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX INC (US) 2019-07-03 EP disclosed
US-20170368004-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. 2017-12-28 US disclosed
US-20150336892-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC (US) 2015-11-26 US disclosed
US-20150336892-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC (US) 2015-11-26 US disclosed
US-20150336892-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC (US) 2015-11-26 US disclosed
EP-2887964-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS Ardelyx, Inc. (US) 2015-07-01 EP disclosed
WO-2014210132-A2 VALENCY DEPENDENT BIOACTIVE HYDROXYAPATITE-BINDING DENDRONS THE UNIVERSITY OF AKRON (US) 2014-12-31 WO disclosed
WO-2014029983-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2014-02-27 WO disclosed
WO-2014029983-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS ARDELYX, INC. (US) 2014-02-27 WO 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-10376481-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders SLC10A1, SLC10A2, FABP2 LMNA 3770/4885MEN1 4780/4885KMT2A 3985/4885
US-20150336892-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP2 LMNA 3770/4885MEN1 4780/4885KMT2A 3985/4885
US-20170368004-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS SLC10A1, SLC10A2, FABP2 LMNA 3770/4885MEN1 4780/4885KMT2A 3985/4885

“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.