SCHEMBL46687

SCHEMBL46687

O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(C(=O)N3CCNCC3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC34A2 O95436 1/20 0.48
CHRM3 P20309 3/20 0.47
BRAF P15056 5/20 0.42
RAF1 P04049 2/20 0.42
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 2/20 0.41
CCNC P24863 2/20 0.41
CDK8 P49336 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL46684 0.98 SLC34A2 (0.47) SLC34A2CHRM3BRAFRAF1ROCK2
SCHEMBL18471336 0.92 SLC34A2 (0.49) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL46748 0.91 CHRM3 (0.58) SLC34A2CHRM3
SCHEMBL45213 0.90 SLC34A2 (0.48) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL39860 0.90 SLC34A2 (0.53) SLC34A2CHRM3BRAFRAF1ROCK2
SCHEMBL15432502 0.89 SLC34A2 (0.52) SLC34A2CHRM3BRAFRAF1ROCK2
SCHEMBL18482281 0.89 SLC34A2 (0.48) SLC34A2CHRM3BRAFRAF1ROCK2
SCHEMBL46725 0.89 CHRM3 (0.56) SLC34A2CHRM3
SCHEMBL5999734 0.89 SLC34A2 (0.49) SLC34A2BRAFRAF1ROCK2ROCK1
SCHEMBL6000691 0.89 SLC34A2 (0.49) SLC34A2CHRM3BRAFRAF1ROCK2

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 12 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
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 1/4885CHRM3 3213/4885BRAF 3436/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 SLC34A2 2/4885CHRM3 3775/4885BRAF 3909/4885

“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.