SCHEMBL40151

SCHEMBL40151

O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(OC3CCOCC3)ccc2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 1/20 0.46
MAPK14 Q16539 1/20 0.43
ROCK2 O75116 2/20 0.43
GLS O94925 1/20 0.41
MAPT P10636 1/20 0.41
RAF1 P04049 4/20 0.41
BRAF P15056 3/20 0.41
MLYCD O95822 1/20 0.41
ROCK1 Q13464 1/20 0.40
SLC34A2 O95436 1/20 0.40
MEN1 O00255 1/20 0.40
PLA2G1B P04054 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL45514 0.94 ALDH1A1 (0.45) MAPK1ALDH1A1MAPK14ROCK2MLYCD
SCHEMBL39901 0.89 MAPK1 (0.56) MAPK1MAPK14ROCK2GLSRAF1
SCHEMBL46968 0.86 MAPK14 (0.48) ALDH1A1MAPK14ROCK2MAPTMLYCD
SCHEMBL18482323 0.85 SLC34A2 (0.53) MAPK1MAPK14ROCK2GLSRAF1
SCHEMBL40493 0.85 MAPK14 (0.47) ALDH1A1MAPK14ROCK2MLYCDROCK1
SCHEMBL39920 0.84 BRAF (0.52) MAPK1ALDH1A1MAPTRAF1BRAF
SCHEMBL39932 0.83 MLYCD (0.48) ALDH1A1MAPK14ROCK2MLYCDSLC34A2
SCHEMBL39907 0.82 MAPK1 (0.49) MAPK1MAPK14ROCK2MLYCDROCK1
SCHEMBL40162 0.82 ALDH1A1 (0.56) ALDH1A1MAPK14ROCK2MLYCDROCK1
SCHEMBL46660 0.80 SLC34A2 (0.62) MAPK1MAPK14ROCK2GLSRAF1

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 26 patents — showing the first 20. 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-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-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
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-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 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
US-20130336920-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2013-12-19 US disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO 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
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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 MAPK1 2611/4885ALDH1A1 2892/4885MAPK14 3889/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 MAPK1 3224/4885ALDH1A1 3332/4885MAPK14 3507/4885
US-20130336920-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 MAPK1 2611/4885ALDH1A1 2892/4885MAPK14 3889/4885

“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.