SCHEMBL46537

SCHEMBL46537

CN(CCN1CCOC[C@H]1C(=O)N(C)CCOCCOCCOCCC(=O)OC(C)(C)C)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.33
CTSS P25774 1/20 0.33
TAOK3 Q9H2K8 2/20 0.33
TAOK1 Q7L7X3 1/20 0.32
AURKA O14965 1/20 0.32
LMNA P02545 3/20 0.32
POLB P06746 2/20 0.32
KDM4E B2RXH2 5/20 0.32
HPGD P15428 5/20 0.32
KMT2A Q03164 4/20 0.32
CYP2D6 P10635 4/20 0.32
MEN1 O00255 3/20 0.32
CYP1A2 P05177 3/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL10274779 0.94 CTSS (0.34) ALDH1A1CTSSTAOK3TAOK1AURKA
SCHEMBL39973 0.94 CTSS (0.34) ALDH1A1CTSSTAOK3TAOK1AURKA
SCHEMBL46538 0.94 CTSS (0.35) ALDH1A1CTSSTAOK3TAOK1AURKA
SCHEMBL15432830 0.94 CTSS (0.34) ALDH1A1CTSSTAOK3TAOK1AURKA
SCHEMBL6002097 0.91 CTSS (0.33) ALDH1A1CTSSTAOK3TAOK1AURKA
SCHEMBL46472 0.89 TAOK1 (0.36) ALDH1A1CTSSTAOK3TAOK1AURKA
SCHEMBL19596028 0.89 RAF1 (0.33) KMT2AMEN1
SCHEMBL15444471 0.89 TAOK1 (0.34) ALDH1A1CTSSTAOK3TAOK1AURKA
SCHEMBL15432827 0.89 TAOK1 (0.34) ALDH1A1CTSSTAOK3TAOK1AURKA
SCHEMBL46882 0.88 CTSS (0.34) ALDH1A1CTSSTAOK3TAOK1AURKA

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 14 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-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

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 ALDH1A1 2892/4885CTSS 1461/4885TAOK3 2420/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 ALDH1A1 2892/4885CTSS 1461/4885TAOK3 2420/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 ALDH1A1 3332/4885CTSS 1606/4885TAOK3 3099/4885

“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.