SCHEMBL39973

SCHEMBL39973

CN(CCN1CCC[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 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
TAOK1 Q7L7X3 1/20 0.33
TAOK3 Q9H2K8 1/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 2/20 0.33
AURKA O14965 1/20 0.33
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 5/20 0.33
HPGD P15428 5/20 0.33
KMT2A Q03164 4/20 0.33
CYP2D6 P10635 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
SMN1; SMN2 Q16637 2/20 0.32
CYP2C9 P11712 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.31

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
SCHEMBL15432830 1.00 CTSS (0.34) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL10274779 0.99 CTSS (0.34) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL46537 0.94 ALDH1A1 (0.33) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL15444471 0.94 TAOK1 (0.34) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL15432827 0.94 TAOK1 (0.34) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL15432828 0.94 CTSS (0.37) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL6001372 0.94 CTSS (0.37) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL6002097 0.93 CTSS (0.33) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL18482730 0.93 CTSS (0.35) CTSSTAOK1TAOK3LMNAPOLB
SCHEMBL18471349 0.93 CTSS (0.35) CTSSTAOK1TAOK3LMNAPOLB

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 9 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-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-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 (2 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 1461/4885TAOK1 2167/4885TAOK3 2420/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 CTSS 1606/4885TAOK1 3042/4885TAOK3 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.