SCHEMBL22371397

SCHEMBL22371397

CCOC(=O)/C(C)=C/c1cc(F)c(Oc2ccc([S+]([O-])CC)cc2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC9A3 P48764 11/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL23469976 0.88 SLC9A3 (0.41) SLC9A3
SCHEMBL22371396 0.88 SLC9A3 (0.39) SLC9A3MEN1LMNAMAPTKMT2A
SCHEMBL19593386 0.85 SLC9A3 (0.41) SLC9A3MEN1LMNAMAPTKMT2A
SCHEMBL13286042 0.83 MEN1 (0.47) SLC9A3MEN1LMNAMAPTKMT2A
SCHEMBL13286043 0.82 SLC9A3 (0.46) SLC9A3
SCHEMBL7651694 0.82 SLC9A3 (0.48) SLC9A3
SCHEMBL7023341 0.82 SLC9A3 (0.48) SLC9A3
SCHEMBL20404536 0.81 SLC9A3 (0.39) SLC9A3MEN1LMNAMAPTKMT2A
SCHEMBL19593826 0.81 SLC9A3 (0.39) SLC9A3MEN1LMNAMAPTKMT2A
SCHEMBL16638603 0.80 SLC9A3 (0.51) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 SLC9A3 4/4885MEN1 4705/4885LMNA 3715/4885
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 SLC9A3 4/4885MEN1 4705/4885LMNA 3715/4885

“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.

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