SCHEMBL2570880

SCHEMBL2570880

C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.53
TRPA1 O75762 2/20 0.53
APEX1 P27695 8/20 0.44
TUBB1 Q9H4B7 2/20 0.43
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
EGFR P00533 1/20 0.36
TBXAS1 P24557 3/20 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
SCHEMBL2570881 1.00 AKR1C3 (0.53) AKR1C3TRPA1APEX1TUBB1CES2
SCHEMBL29263956 0.83 AKR1C3 (0.48) AKR1C3TRPA1APEX1TUBB1TBXAS1
SCHEMBL8746653 0.83 AKR1C3 (0.67) AKR1C3APEX1TBXAS1
SCHEMBL8746655 0.83 AKR1C3 (0.67) AKR1C3APEX1TBXAS1
SCHEMBL7133171 0.82 AKR1C3 (0.55) AKR1C3APEX1TUBB1CES2CES1
SCHEMBL7133176 0.82 AKR1C3 (0.55) AKR1C3APEX1TUBB1CES2CES1
SCHEMBL6936533 0.81 TRPA1 (0.55) AKR1C3TRPA1APEX1TUBB1CES2
SCHEMBL6936531 0.81 TRPA1 (0.55) AKR1C3TRPA1APEX1TUBB1CES2
SCHEMBL7968227 0.81 TRPA1 (0.42) AKR1C3TRPA1TUBB1CES2CES1
SCHEMBL6201444 0.81 TRPA1 (0.42) AKR1C3TRPA1TUBB1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016856-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) 2024-06-25 US disclosed
US-20230031776-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) 2023-02-02 US disclosed
US-11318129-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) 2022-05-03 US disclosed
EP-3939964-A1 COMBINATIONS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDERS Ardelyx, Inc. (US) 2022-01-19 EP disclosed
EP-3351248-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) 2021-06-09 EP disclosed
US-20200268741-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) 2020-08-27 US disclosed
US-10543207-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) 2020-01-28 US disclosed
EP-3351248-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) 2018-07-25 EP disclosed
WO-2018129556-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) 2018-07-12 WO disclosed
US-20170340623-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. 2017-11-30 US disclosed
US-9408840-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorder ARDELYX, INC. (US) 2016-08-09 US disclosed
US-20150190389-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDER ARDELYX, INC. (US) 2015-07-09 US disclosed
US-9006281-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) 2015-04-14 US disclosed
US-8969377-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) 2015-03-03 US disclosed
US-20140107074-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) 2014-04-17 US disclosed
US-20130274285-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 2013-10-17 US disclosed
US-8541448-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) 2013-09-24 US disclosed
US-20120263670-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) 2012-10-18 US disclosed
EP-2384318-A2 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) 2011-11-09 EP disclosed
WO-2010078449-A2 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) 2010-07-08 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 (10 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-20130274285-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 SLC10A2, SLC10A1, SLC9A2 AKR1C3 534/4885TRPA1 416/4885APEX1 3390/4885
US-20150190389-A1 COMPOUNDS AND METHODS FOR INHIBITING NHE-MEDIATED ANTIPORT IN THE TREATMENT OF DISORDERS ASSOCIATED WITH FLUID RETENTION OR SALT OVERLOAD AND GASTROINTESTINAL TRACT DISORDER SLC9A1, SLC9A2, SLC10A2 AKR1C3 572/4885TRPA1 571/4885APEX1 3504/4885
US-20230031776-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, FABP3 AKR1C3 2636/4885TRPA1 207/4885APEX1 4474/4885
US-20120263670-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 AKR1C3 1469/4885TRPA1 463/4885APEX1 3839/4885
US-20170340623-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, FABP3 AKR1C3 2636/4885TRPA1 207/4885APEX1 4474/4885
US-11318129-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, FABP3 AKR1C3 2636/4885TRPA1 207/4885APEX1 4474/4885
US-20140107074-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 SLC10A2, SLC9A1, SLC9A2 AKR1C3 492/4885TRPA1 517/4885APEX1 3648/4885
US-10543207-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, FABP3 AKR1C3 2636/4885TRPA1 207/4885APEX1 4474/4885
US-20200268741-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, FABP3 AKR1C3 2636/4885TRPA1 207/4885APEX1 4474/4885
US-12016856-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, FABP3 AKR1C3 2636/4885TRPA1 207/4885APEX1 4474/4885

“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.