SCHEMBL46526

SCHEMBL46526

O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(Cn3ccc4c(C(=O)NCCOCCOCCO)cccc43)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.47
CCR1 P32246 6/20 0.38
USP2 O75604 1/20 0.36
TLR9 Q9NR96 1/20 0.36
GPR52 Q9Y2T5 6/20 0.36
ADCYAP1R1 P41586 1/20 0.36
BRAF P15056 2/20 0.35
MAP3K7 O43318 1/20 0.35
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
RAF1 P04049 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
SCHEMBL46781 0.95 SLC34A2 (0.54) SLC34A2CCR1USP2TLR9ADCYAP1R1
SCHEMBL46776 0.89 SLC34A2 (0.46) SLC34A2CCR1USP2TLR9ADCYAP1R1
SCHEMBL46437 0.83 SLC34A2 (0.60) SLC34A2GPR52BRAFRAF1
SCHEMBL15432752 0.82 SLC34A2 (0.63) SLC34A2GPR52BRAFRAF1
SCHEMBL39796 0.82 SLC34A2 (0.67) SLC34A2USP2TLR9GPR52BRAF
SCHEMBL16355209 0.82 SLC34A2 (0.62) SLC34A2GPR52BRAFRAF1
SCHEMBL19596297 0.81 SLC34A2 (0.50) SLC34A2BRAFMAP3K7IRAK1IRAK4
SCHEMBL46963 0.80 SLC34A2 (0.54) SLC34A2GPR52BRAFRAF1
SCHEMBL15444455 0.80 SLC34A2 (0.43) SLC34A2GPR52BRAFIRAK4RAF1
SCHEMBL15432811 0.80 BDKRB1 (0.38) SLC34A2

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
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
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 (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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885CCR1 2838/4885USP2 4667/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SLC34A2 2/4885CCR1 4134/4885USP2 4692/4885

“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.