SCHEMBL46722

SCHEMBL46722

O=C(O)CCOCCOCCOCCNC(=O)c1cccc(SCc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)N[C@H]4CCCc5ccccc54)ccn3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.42
TAOK3 Q9H2K8 2/20 0.40
TAOK1 Q7L7X3 1/20 0.40
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
BDKRB1 P46663 2/20 0.38
DHODH Q02127 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSS P25774 1/20 0.37
CFD P00746 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HTT P42858 1/20 0.35
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL15420931 0.93 SLC34A2 (0.39) SLC34A2TAOK3TAOK1LMNAPOLB
Hydrochloric Acid SCHEMBL2730791 0.93 SLC34A2 (0.39) SLC34A2TAOK3TAOK1LMNAPOLB
SCHEMBL18482342 0.92 SLC34A2 (0.38) SLC34A2TAOK3TAOK1LMNAPOLB
SCHEMBL15420777 0.90 SLC34A2 (0.49) SLC34A2TAOK3TAOK1LMNAPOLB
SCHEMBL15432725 0.90 SLC34A2 (0.49) SLC34A2TAOK3TAOK1LMNAPOLB
SCHEMBL44690 0.90 SLC34A2 (0.39) SLC34A2TAOK3TAOK1LMNAPOLB
SCHEMBL44689 0.90 SLC34A2 (0.39) SLC34A2TAOK3TAOK1LMNAPOLB
SCHEMBL46868 0.89 BDKRB1 (0.45) TAOK3TAOK1LMNAPOLBBDKRB1
SCHEMBL15432874 0.89 LMNA (0.42) SLC34A2TAOK3TAOK1LMNAPOLB
SCHEMBL44814 0.86 SLC34A2 (0.35) SLC34A2TAOK3TAOK1LMNAPOLB

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 13 patents. 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
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
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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 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
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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885TAOK3 2420/4885TAOK1 2167/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885TAOK3 2420/4885TAOK1 2167/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SLC34A2 2/4885TAOK3 3099/4885TAOK1 3042/4885

“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.