SCHEMBL15570538

SCHEMBL15570538

O=C(O)NCCOCCOCCOCCNS(=O)(=O)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
CA2 P00918 3/20 0.42
GAA P10253 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FBP1 P09467 1/20 0.41

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
SCHEMBL15570115 1.00 ALDH1A1 (0.59) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL25176484 0.89 ALDH1A1 (0.59) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL22500926 0.87 ALDH1A1 (0.57) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL21350740 0.86 CA2 (0.59) ALDH1A1SMN1; SMN2CA2NPSR1
SCHEMBL20953666 0.86 SLC9A3 (0.52) ALDH1A1MAPT
SCHEMBL20953674 0.84 ALDH1A1 (0.54) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL15570605 0.84 ALDH1A1 (0.50) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL17273572 0.82 MMP2 (0.59) ALDH1A1HTTMEN1KMT2A
SCHEMBL15616290 0.82 ALDH1A1 (0.58) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL21142263 0.82 ALDH1A1 (0.58) ALDH1A1LMNAHPGDMAPTSMN1; SMN2

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 6 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
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-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 ALDH1A1 1732/4885LMNA 3770/4885HPGD 329/4885
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 ALDH1A1 1732/4885LMNA 3770/4885HPGD 329/4885
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 ALDH1A1 1732/4885LMNA 3770/4885HPGD 329/4885

“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.