SCHEMBL46498

SCHEMBL46498

Cc1ccc(C(=O)Nc2ccnc(-c3cc(N4CCCCC4)ccc3NC(=O)c3cccc(CSCCC(=O)O)c3)c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.43
BRAF P15056 2/20 0.43
SLC34A2 O95436 1/20 0.41
MAPK14 Q16539 5/20 0.41
TEK Q02763 1/20 0.39
PARP1 P09874 1/20 0.38
LRRK2 Q5S007 2/20 0.38
SMO Q99835 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
ACKR3 P25106 1/20 0.37
HSPB1 P04792 1/20 0.37
LYN P07948 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL46747 0.94 SLC34A2 (0.41) RAF1BRAFSLC34A2MAPK14TEK
SCHEMBL19595439 0.93 RAF1 (0.44) RAF1BRAFSLC34A2MAPK14TEK
SCHEMBL19579983 0.88 SLC34A2 (0.46) RAF1BRAFSLC34A2PARP1LRRK2
SCHEMBL19580001 0.88 SLC34A2 (0.52) RAF1BRAFSLC34A2KMT2A
SCHEMBL10274259 0.88 SLC34A2 (0.51) RAF1BRAFSLC34A2MAPK14MEN1
SCHEMBL40238 0.87 RAF1 (0.39) RAF1BRAFSLC34A2MAPK14TEK
SCHEMBL15444403 0.86 SLC34A2 (0.45) RAF1BRAFSLC34A2PARP1LRRK2
SCHEMBL15444456 0.86 SLC34A2 (0.41) RAF1BRAFSLC34A2MAPK14PARP1
SCHEMBL6001518 0.85 SLC34A2 (0.40) SLC34A2MAPK14PARP1SMN1; SMN2TP53
SCHEMBL19595685 0.85 SLC34A2 (0.46) SLC34A2PARP1LRRK2NPC1RAB9A

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 10 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 claimed
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
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-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-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 RAF1 3203/4885BRAF 3436/4885SLC34A2 1/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 RAF1 3203/4885BRAF 3436/4885SLC34A2 1/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 RAF1 3987/4885BRAF 3909/4885SLC34A2 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.