SCHEMBL46499

SCHEMBL46499

O=C(CCOCCOCCOCCOCCCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1)NC(CO)(CO)CO

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.52
BRAF P15056 4/20 0.37
RAF1 P04049 2/20 0.36
ROCK2 O75116 3/20 0.36
ROCK1 Q13464 2/20 0.36
GPR52 Q9Y2T5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CCR2 P41597 1/20 0.35
KCNH2 Q12809 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35
TEK Q02763 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL46793 0.92 SLC34A2 (0.61) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL18482744 0.91 SLC34A2 (0.42) SLC34A2BRAFRAF1GPR52KDM4E
SCHEMBL15432918 0.90 SLC34A2 (0.53) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL46841 0.90 SLC34A2 (0.54) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL10290323 0.86 SLC34A2 (0.69) SLC34A2ROCK2ROCK1GPR52
SCHEMBL6001167 0.86 SLC34A2 (0.53) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL19595537 0.84 SLC34A2 (0.49) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL15432752 0.83 SLC34A2 (0.63) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL19580025 0.83 SLC34A2 (0.75) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL15432736 0.83 SLC34A2 (0.75) SLC34A2BRAFRAF1ROCK2ROCK1

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 13 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
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 3436/4885RAF1 3203/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885BRAF 3436/4885RAF1 3203/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SLC34A2 2/4885BRAF 3909/4885RAF1 3987/4885

“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.