SCHEMBL45411

SCHEMBL45411

O=C(O)Cc1cccc(SCc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3C(=O)Nc3ccn(-c4cccc(C(F)(F)F)c4)n3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
NR1H4 Q96RI1 2/20 0.38
TRPA1 O75762 1/20 0.37
F10 P00742 2/20 0.36
MGLL Q99685 1/20 0.36
MAP3K7 O43318 1/20 0.36
IRAK1 P51617 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KCNQ2 O43526 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LRRK2 Q5S007 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL46889 0.94 F10 (0.37) PPARGPPARDNR1H4TRPA1F10
SCHEMBL10225110 0.91 SERPINE1 (0.39) PPARGPPARDNR1H4TRPA1F10
SCHEMBL10225111 0.89 SLC34A2 (0.38) TRPA1F10MGLLMAP3K7IRAK1
SCHEMBL16842770 0.89 PPARG (0.40) PPARGPPARDPPARANR1H4TRPA1
SCHEMBL10225273 0.89 HSPH1 (0.44) PPARGPPARDPPARANR1H4TRPA1
SCHEMBL46822 0.88 MAPT (0.40) PPARGPPARDPPARANR1H4TRPA1
SCHEMBL10226260 0.86 F10 (0.41) TRPA1F10MAP3K7IRAK1IRAK4
SCHEMBL46809 0.86 F10 (0.41) TRPA1F10MAP3K7IRAK1IRAK4
SCHEMBL47058 0.86 F10 (0.42) TRPA1F10MAP3K7IRAK1IRAK4
SCHEMBL46581 0.84 F10 (0.43) PPARGPPARDNR1H4TRPA1F10

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
US-9289430-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-22 US disclosed
EP-2590655-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2015-06-24 EP disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8815910-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-26 US disclosed
US-8815910-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-08-26 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
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012006473-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 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 (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-20150164904-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A1 PPARG 3094/4885PPARD 3336/4885PPARA 3041/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 PPARG 2775/4885PPARD 2890/4885PPARA 2950/4885

“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.