SCHEMBL46985

SCHEMBL46985

CN1CCCN(Cc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.48
BRAF P15056 5/20 0.45
CHRM3 P20309 4/20 0.45
HRH4 Q9H3N8 1/20 0.44
SLC2A1 P11166 2/20 0.42
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
MAP3K7 O43318 2/20 0.42
IRAK1 P51617 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
RAF1 P04049 1/20 0.41
DDR1 Q08345 1/20 0.41
DDR2 Q16832 1/20 0.41

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
SCHEMBL19596297 0.95 SLC34A2 (0.50) SLC34A2BRAFCHRM3MAP3K7IRAK1
SCHEMBL46746 0.92 SLC34A2 (0.47) SLC34A2BRAFCHRM3MAP3K7IRAK1
SCHEMBL15420709 0.92 SLC34A2 (0.47) SLC34A2BRAFCHRM3MAP3K7IRAK1
SCHEMBL15420846 0.91 SLC34A2 (0.48) SLC34A2BRAFCHRM3MAP3K7IRAK1
SCHEMBL15432581 0.91 SLC34A2 (0.46) SLC34A2BRAFCHRM3MAP3K7IRAK1
SCHEMBL46748 0.90 CHRM3 (0.58) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL40112 0.90 SLC34A2 (0.48) SLC34A2BRAFHRH4KDM1AHDAC1
SCHEMBL46725 0.90 CHRM3 (0.56) SLC34A2CHRM3MAP3K7IRAK1IRAK4
SCHEMBL44766 0.89 SLC34A2 (0.46) SLC34A2BRAFCHRM3HDAC1MAP3K7
SCHEMBL5998433 0.89 SLC34A2 (0.47) SLC34A2BRAFCHRM3MAP3K7IRAK1

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 SLC34A2 1/4885BRAF 3436/4885CHRM3 3213/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885BRAF 3436/4885CHRM3 3213/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SLC34A2 2/4885BRAF 3909/4885CHRM3 3775/4885

“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.