SCHEMBL46946

SCHEMBL46946

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPH1 Q92598 1/20 0.49
MAPT P10636 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
SLC34A2 O95436 2/20 0.42
LMNA P02545 2/20 0.42
USP36 Q9P275 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
SLC34A1 Q06495 1/20 0.39
SLC34A3 Q8N130 1/20 0.39
SLC20A1 Q8WUM9 1/20 0.39
TRPA1 O75762 1/20 0.39
KDM1A O60341 1/20 0.39
F10 P00742 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL10225251 0.91 MAPT (0.43) HSPH1MAPTHSP90AA1NPSR1PPARG
SCHEMBL46822 0.88 MAPT (0.40) HSPH1MAPTHSP90AA1NPSR1PPARG
SCHEMBL16817168 0.88 SLC34A2 (0.42) HSPH1MAPTHSP90AA1NPSR1PPARG
SCHEMBL46584 0.87 HSPH1 (0.47) HSPH1MAPTPPARGPPARDNR1H4
SCHEMBL46870 0.87 LMNA (0.41) HSPH1MAPTSLC34A2LMNAUSP36
SCHEMBL10225273 0.87 HSPH1 (0.44) HSPH1MAPTHSP90AA1NPSR1PPARG
SCHEMBL16817170 0.86 HSPH1 (0.43) HSPH1MAPTHSP90AA1NPSR1PPARG
SCHEMBL15444454 0.82 HSPH1 (0.44) HSPH1MAPTPPARGPPARDNR1H4
SCHEMBL45710 0.79 USP36 (0.38) HSPH1MAPTHSP90AA1NPSR1PPARG
SCHEMBL16842770 0.78 PPARG (0.40) HSPH1MAPTPPARGPPARDNR1H4

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
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
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
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 HSPH1 4267/4885MAPT 3469/4885HSP90AA1 3440/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 HSPH1 3026/4885MAPT 3270/4885HSP90AA1 2351/4885

“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.