SCHEMBL6001435

SCHEMBL6001435

O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CC4CCCC4C3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.61
KDM4E B2RXH2 1/20 0.38
BRAF P15056 3/20 0.37
RAF1 P04049 2/20 0.37
ROCK2 O75116 2/20 0.37
USP2 O75604 1/20 0.36
TLR9 Q9NR96 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
ROCK1 Q13464 1/20 0.36
CCR1 P32246 1/20 0.35
MLYCD O95822 1/20 0.35
EPHB4 P54760 1/20 0.35
CCR2 P41597 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
PLA2G1B P04054 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
SCHEMBL5999719 0.92 SLC34A2 (0.65) SLC34A2KDM4EBRAFRAF1ROCK2
SCHEMBL45535 0.91 SLC34A2 (0.64) SLC34A2KDM4EBRAFRAF1ROCK2
SCHEMBL46767 0.89 SLC34A2 (0.62) SLC34A2BRAFRAF1ROCK2USP2
SCHEMBL40109 0.89 SLC34A2 (0.62) SLC34A2KDM4EBRAFRAF1GAA
SCHEMBL46716 0.88 SLC34A2 (0.63) SLC34A2KDM4EBRAFRAF1ROCK2
SCHEMBL19579976 0.88 SLC34A2 (0.63) SLC34A2KDM4EBRAFRAF1ROCK2
SCHEMBL19580034 0.87 SLC34A2 (0.59) SLC34A2BRAFRAF1ROCK2USP2
SCHEMBL46554 0.85 SLC34A2 (0.59) SLC34A2KDM4EBRAFRAF1ROCK2
SCHEMBL46800 0.85 SLC34A2 (0.70) SLC34A2KDM4EROCK2LMNARAB9A
SCHEMBL19579933 0.85 SLC34A2 (0.56) SLC34A2KDM4EBRAFRAF1ROCK2

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 15 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 claimed
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 1/4885KDM4E 3721/4885BRAF 3436/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885KDM4E 3721/4885BRAF 3436/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SLC34A2 2/4885KDM4E 4411/4885BRAF 3909/4885

“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.