SCHEMBL46689

SCHEMBL46689

CC(=O)N[C@@H]1CCN(C(=O)c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX2 Q96LB1 1/20 0.46
MRGPRX1 Q96LB2 1/20 0.46
SLC34A2 O95436 1/20 0.46
CCR2 P41597 9/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.41
BRAF P15056 5/20 0.40
RAF1 P04049 2/20 0.40
VNN1 O95497 1/20 0.39
TEAD1 P28347 1/20 0.39

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
SCHEMBL5999588 1.00 MRGPRX2 (0.46) MRGPRX2MRGPRX1SLC34A2CCR2KCNH2
SCHEMBL15444458 0.96 SLC34A2 (0.47) MRGPRX2MRGPRX1SLC34A2CCR2KCNH2
SCHEMBL46665 0.91 CCR2 (0.48) MRGPRX2MRGPRX1SLC34A2CCR2
SCHEMBL46468 0.91 CCR2 (0.48) MRGPRX2MRGPRX1SLC34A2CCR2
SCHEMBL10274674 0.89 SLC34A2 (0.46) MRGPRX2MRGPRX1SLC34A2CCR2
SCHEMBL18471336 0.88 SLC34A2 (0.49) SLC34A2KDM4EBRAFRAF1
SCHEMBL15432502 0.87 SLC34A2 (0.52) SLC34A2KCNH2KDM4EBRAFRAF1
SCHEMBL18482281 0.87 SLC34A2 (0.48) SLC34A2KDM4EBRAFRAF1
SCHEMBL45213 0.87 SLC34A2 (0.48) SLC34A2BRAFRAF1
SCHEMBL5999734 0.87 SLC34A2 (0.49) SLC34A2KDM4EBRAFRAF1

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 14 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
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 MRGPRX2 750/4885MRGPRX1 901/4885SLC34A2 1/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 MRGPRX2 750/4885MRGPRX1 901/4885SLC34A2 1/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 MRGPRX2 1681/4885MRGPRX1 2034/4885SLC34A2 2/4885

“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.