SCHEMBL16479155

SCHEMBL16479155

CCC(=O)c1cc(C(C)=O)cc(C(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.48
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.40
▸ BAZ2A Q9UIF9 1/20 0.40
▸ PPARA Q07869 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ GSK3B P49841 1/20 0.38

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
SCHEMBL11382828 0.89 MAPT (0.50) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL20756330 0.86 KDM4E (0.39) CA5AMAPTSMN1; SMN2L3MBTL1ATM
SCHEMBL23490292 0.84 MEN1 (0.38) CA5AMAPTSMN1; SMN2L3MBTL1KMT2A
SCHEMBL13545179 0.82 MEN1 (0.49) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL21029640 0.82 POLB (0.36) CA5AKMT2AMEN1HPGDLMNA
SCHEMBL669554 0.81 CA5A (0.67) CA5AMAPTSMN1; SMN2L3MBTL1KMT2A
SCHEMBL8418226 0.80 MEN1 (0.58) CA5AMAPTSMN1; SMN2L3MBTL1KMT2A
SCHEMBL18632252 0.80 MAPT (0.43) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL8282094 0.80 MAPT (0.59) MAPTSMN1; SMN2L3MBTL1KMT2AATM
SCHEMBL22548930 0.78 MAPT (0.44) MAPTSMN1; SMN2L3MBTL1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160067242-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2016-03-10 — — 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-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

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-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 CA5A 1402/4885MAPT 4590/4885SMN1; SMN2 3491/4885
US-20160067242-A1 NHE3-BINDING COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A3, SLC34A2, SLC34A1 CA5A 623/4885MAPT 4323/4885SMN1; SMN2 4781/4885
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 CA5A 1713/4885MAPT 4756/4885SMN1; SMN2 2874/4885

“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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