SCHEMBL46822

SCHEMBL46822

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC34A2 O95436 1/20 0.39
F10 P00742 2/20 0.38
NPSR1 Q6W5P4 3/20 0.37
HSP90AA1 P07900 1/20 0.37
TRPA1 O75762 1/20 0.37
MAP3K7 O43318 1/20 0.37
IRAK1 P51617 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
HSPH1 Q92598 1/20 0.37
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL46569 0.89 F10 (0.37) MAPTALDH1A1SMN1; SMN2F10NPSR1
SCHEMBL46946 0.88 HSPH1 (0.49) MAPTSLC34A2F10NPSR1HSP90AA1
SCHEMBL45411 0.88 PPARG (0.38) MAPTALDH1A1SMN1; SMN2F10NPSR1
SCHEMBL10226260 0.88 F10 (0.41) MAPTALDH1A1SMN1; SMN2F10NPSR1
SCHEMBL47058 0.88 F10 (0.42) MAPTALDH1A1SMN1; SMN2F10NPSR1
SCHEMBL46809 0.88 F10 (0.41) MAPTALDH1A1SMN1; SMN2F10NPSR1
SCHEMBL10225110 0.87 SERPINE1 (0.39) MAPTALDH1A1SMN1; SMN2F10NPSR1
SCHEMBL46889 0.87 F10 (0.37) MAPTALDH1A1SMN1; SMN2F10NPSR1
SCHEMBL15432988 0.87 USP30 (0.41) MAPTALDH1A1SMN1; SMN2SLC34A2F10
SCHEMBL46581 0.86 F10 (0.43) MAPTALDH1A1SMN1; SMN2F10NPSR1

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
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
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-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 MAPT 3469/4885ALDH1A1 2974/4885SMN1; SMN2 4871/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 MAPT 3270/4885ALDH1A1 3332/4885SMN1; SMN2 4864/4885

“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.