SCHEMBL6001372

SCHEMBL6001372

CN(CCN1CCC[C@H]1C(=O)N(C)CCOCCOCCOCCC(=O)O)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.37
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
SLC34A2 O95436 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
AURKA O14965 1/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 5/20 0.34
CYP2D6 P10635 4/20 0.34
CYP1A2 P05177 3/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
BDKRB1 P46663 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL15432828 1.00 CTSS (0.37) CTSSLMNAPOLBSLC34A2TAOK1
SCHEMBL15420656 0.95 CTSS (0.37) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL15432836 0.95 CTSS (0.37) CTSSLMNAPOLBTAOK1TAOK3
SCHEMBL39973 0.94 CTSS (0.34) CTSSLMNAPOLBSLC34A2TAOK1
SCHEMBL15432830 0.94 CTSS (0.34) CTSSLMNAPOLBSLC34A2TAOK1
SCHEMBL46538 0.94 CTSS (0.35) CTSSLMNAPOLBSLC34A2TAOK1
SCHEMBL6001174 0.93 CTSS (0.37) CTSSLMNAPOLBSLC34A2TAOK1
SCHEMBL15432831 0.93 CTSS (0.37) CTSSLMNAPOLBSLC34A2TAOK1
SCHEMBL6003579 0.93 CTSS (0.41) CTSSLMNAPOLBSLC34A2TAOK1
SCHEMBL10274779 0.93 CTSS (0.34) CTSSLMNAPOLBSLC34A2TAOK1

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
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

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 CTSS 1461/4885LMNA 2948/4885POLB 2222/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CTSS 1461/4885LMNA 2948/4885POLB 2222/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 CTSS 1606/4885LMNA 3817/4885POLB 1451/4885

“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.