SCHEMBL46436

SCHEMBL46436

COCCNC(=O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.59
GPR52 Q9Y2T5 2/20 0.41
BRAF P15056 4/20 0.40
RAF1 P04049 2/20 0.40
NPSR1 Q6W5P4 3/20 0.39
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
HTR2A P28223 1/20 0.37
TEK Q02763 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PHGDH O43175 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL15432751 0.93 SLC34A2 (0.65) SLC34A2GPR52BRAFRAF1NPSR1
SCHEMBL16355207 0.93 SLC34A2 (0.65) SLC34A2GPR52BRAFRAF1NPSR1
SCHEMBL46437 0.93 SLC34A2 (0.60) SLC34A2GPR52BRAFRAF1ROCK2
SCHEMBL15444417 0.92 SLC34A2 (0.49) SLC34A2ROCK2ROCK1MAPT
SCHEMBL46554 0.91 SLC34A2 (0.59) SLC34A2BRAFRAF1NPSR1ROCK2
SCHEMBL16355209 0.90 SLC34A2 (0.62) SLC34A2GPR52BRAFRAF1ROCK2
SCHEMBL45535 0.90 SLC34A2 (0.64) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL16355215 0.90 SLC34A2 (0.70) SLC34A2GPR52BRAFRAF1ROCK2
SCHEMBL15432752 0.90 SLC34A2 (0.63) SLC34A2GPR52BRAFRAF1ROCK2
SCHEMBL15432766 0.90 SLC34A2 (0.70) SLC34A2GPR52BRAFRAF1ROCK2

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 9 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
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-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
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 1/4885GPR52 2705/4885BRAF 3436/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC34A2 1/4885GPR52 2705/4885BRAF 3436/4885

“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.