SCHEMBL46663

SCHEMBL46663

O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(CN3CCC(CO)CC3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.47
IRAK1 P51617 3/20 0.47
IRAK4 Q9NWZ3 3/20 0.47
CHRM3 P20309 2/20 0.47
SLC34A2 O95436 1/20 0.46
KCNH2 Q12809 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
ACKR3 P25106 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
TLR9 Q9NR96 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CHRM4 P08173 1/20 0.41
CCR2 P41597 1/20 0.41
GLS O94925 1/20 0.41
BRAF P15056 2/20 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
SCHEMBL46724 0.95 SLC34A2 (0.46) MAP3K7IRAK1IRAK4CHRM3SLC34A2
SCHEMBL19596297 0.93 SLC34A2 (0.50) MAP3K7IRAK1IRAK4CHRM3SLC34A2
SCHEMBL5998433 0.93 SLC34A2 (0.47) MAP3K7IRAK1IRAK4CHRM3SLC34A2
SCHEMBL46748 0.91 CHRM3 (0.58) MAP3K7IRAK1IRAK4CHRM3SLC34A2
SCHEMBL10274674 0.90 SLC34A2 (0.46) CHRM3SLC34A2ACKR3CCR2
SCHEMBL46725 0.90 CHRM3 (0.56) MAP3K7IRAK1IRAK4CHRM3SLC34A2
SCHEMBL15420846 0.89 SLC34A2 (0.48) MAP3K7IRAK1IRAK4CHRM3SLC34A2
SCHEMBL46985 0.88 SLC34A2 (0.48) MAP3K7IRAK1IRAK4CHRM3SLC34A2
SCHEMBL46665 0.88 CCR2 (0.48) SLC34A2CCR2
SCHEMBL46468 0.88 CCR2 (0.48) SLC34A2CCR2

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
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-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 MAP3K7 3883/4885IRAK1 4843/4885IRAK4 4860/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 MAP3K7 3883/4885IRAK1 4843/4885IRAK4 4860/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 MAP3K7 3833/4885IRAK1 4873/4885IRAK4 4871/4885

“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.