SCHEMBL19593445

SCHEMBL19593445

C/C(=C\c1cc(F)c(Oc2ccc(SN)cc2)c(F)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 10/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ TUBB1 Q9H4B7 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39

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
SCHEMBL19593632 0.88 SLC9A3 (0.42) SLC9A3TUBB1
SCHEMBL19593883 0.88 ESR1 (0.40) SLC9A3ESR1TUBB1AKR1C3
SCHEMBL19594048 0.84 ESR1 (0.43) SLC9A3ESR1TUBB1AKR1C3
SCHEMBL2565950 0.84 AKR1C3 (0.53) SLC9A3ESR1TUBB1AKR1C3
SCHEMBL2565952 0.84 AKR1C3 (0.53) SLC9A3ESR1TUBB1AKR1C3
SCHEMBL23469949 0.83 ESR1 (0.42) SLC9A3ESR1TUBB1AKR1C3
SCHEMBL2568719 0.81 SLC9A3 (0.49) SLC9A3
SCHEMBL2568722 0.81 SLC9A3 (0.49) SLC9A3
SCHEMBL19593608 0.81 ESR1 (0.41) SLC9A3ESR1TUBB1AKR1C3
SCHEMBL2571778 0.79 SLC9A3 (0.47) SLC9A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2384318-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) 2017-11-15 — — EP disclosed
Send feedback