SCHEMBL40026

SCHEMBL40026

CC(C)(C)OC(=O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.47
HDAC1 Q13547 7/20 0.47
SLC34A2 O95436 1/20 0.46
PSMD14 O00487 1/20 0.43
STAMBP O95630 1/20 0.43
COPS5 Q92905 1/20 0.43
RAF1 P04049 2/20 0.40
BRAF P15056 2/20 0.40
NTRK1 P04629 1/20 0.38
NAMPT P43490 1/20 0.37
ALK Q9UM73 1/20 0.37
MAPK14 Q16539 3/20 0.36
EGFR P00533 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 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
SCHEMBL39885 0.93 SLC34A2 (0.48) KDM1AHDAC1SLC34A2BRAFALK
SCHEMBL44858 0.91 SLC34A2 (0.45) KDM1AHDAC1SLC34A2PSMD14STAMBP
SCHEMBL39717 0.91 SLC34A2 (0.57) KDM1AHDAC1SLC34A2RAF1BRAF
SCHEMBL46817 0.90 KDM1A (0.51) KDM1AHDAC1SLC34A2PSMD14STAMBP
SCHEMBL39707 0.89 SLC34A2 (0.58) SLC34A2RAF1BRAFROCK2ROCK1
SCHEMBL39760 0.89 SLC34A2 (0.48) KDM1AHDAC1SLC34A2PSMD14STAMBP
SCHEMBL39648 0.89 SLC34A2 (0.44) HDAC1SLC34A2RAF1BRAFNTRK1
SCHEMBL39971 0.89 SLC34A2 (0.59) SLC34A2RAF1BRAFROCK2ROCK1
SCHEMBL40191 0.88 SLC34A2 (0.42) HDAC1SLC34A2RAF1BRAFEGFR
SCHEMBL40138 0.88 SLC34A2 (0.42) HDAC1SLC34A2RAF1BRAFEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20130336920-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2013-12-19 US disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 KDM1A 4426/4885HDAC1 2715/4885SLC34A2 1/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 KDM1A 4841/4885HDAC1 3309/4885SLC34A2 2/4885
US-20130336920-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 KDM1A 4426/4885HDAC1 2715/4885SLC34A2 1/4885

“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.