SCHEMBL46950

SCHEMBL46950

O=C(NCCN1CCOCC1)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)N/N=C/c2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 4/20 0.49
SLC34A2 O95436 3/20 0.44
GRK2 P25098 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
EPHX2 P34913 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
BCL3 P20749 1/20 0.41
BRAF P15056 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
SCHEMBL15420982 0.89 SLC34A2 (0.43) RAF1SLC34A2KMT2AMEN1
SCHEMBL46916 0.89 SLC34A2 (0.43) RAF1SLC34A2KMT2AMEN1
SCHEMBL15420997 0.87 SLC34A2 (0.42) RAF1SLC34A2CYP3A4CYP2C9
SCHEMBL47181 0.87 SLC34A2 (0.42) RAF1SLC34A2CYP3A4CYP2C9
SCHEMBL41236 0.86 SLC34A2 (0.45) RAF1SLC34A2KMT2AMEN1
SCHEMBL41238 0.86 SLC34A2 (0.45) RAF1SLC34A2KMT2AMEN1
SCHEMBL15421241 0.85 SLC34A2 (0.45) RAF1SLC34A2KMT2AMEN1
SCHEMBL40394 0.85 SLC34A2 (0.45) RAF1SLC34A2KMT2AMEN1
SCHEMBL40226 0.84 SLC34A2 (0.49) RAF1SLC34A2KMT2AMEN1
SCHEMBL45091 0.84 SLC34A2 (0.49) RAF1SLC34A2KMT2AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP 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 (1 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-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 RAF1 3987/4885SLC34A2 2/4885GRK2 3457/4885

“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.