SCHEMBL46538

SCHEMBL46538

CN(CCN1CCOC[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 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.35
ALDH1A1 P00352 6/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
TAOK3 Q9H2K8 2/20 0.34
SLC34A2 O95436 1/20 0.34
TAOK1 Q7L7X3 1/20 0.33
AURKA O14965 1/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 4/20 0.33
CYP2D6 P10635 4/20 0.33
HPGD P15428 4/20 0.33
MEN1 O00255 3/20 0.33
CYP1A2 P05177 3/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
BDKRB1 P46663 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL46537 0.94 ALDH1A1 (0.33) CTSSALDH1A1LMNAPOLBTAOK3
SCHEMBL6001372 0.94 CTSS (0.37) CTSSALDH1A1LMNAPOLBTAOK3
SCHEMBL15432828 0.94 CTSS (0.37) CTSSALDH1A1LMNAPOLBTAOK3
SCHEMBL6003579 0.91 CTSS (0.41) CTSSALDH1A1LMNAPOLBTAOK3
SCHEMBL15420656 0.89 CTSS (0.37) CTSSALDH1A1LMNAPOLBTAOK3
SCHEMBL15432836 0.89 CTSS (0.37) CTSSALDH1A1LMNAPOLBTAOK3
SCHEMBL19595886 0.88 SLC34A2 (0.36) ALDH1A1LMNASLC34A2KMT2AMEN1
SCHEMBL15432831 0.88 CTSS (0.37) CTSSALDH1A1LMNAPOLBTAOK3
SCHEMBL6001174 0.88 CTSS (0.37) CTSSALDH1A1LMNAPOLBTAOK3
SCHEMBL10274779 0.87 CTSS (0.34) CTSSALDH1A1LMNAPOLBTAOK3

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 CTSS 1461/4885ALDH1A1 2892/4885LMNA 2948/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CTSS 1461/4885ALDH1A1 2892/4885LMNA 2948/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 CTSS 1606/4885ALDH1A1 3332/4885LMNA 3817/4885

“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.