SCHEMBL46986

SCHEMBL46986

CN(C)CCC#Cc1cccc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SLC7A11 Q9UPY5 1/20 0.39
MAPK14 Q16539 1/20 0.39
ESR1 P03372 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA6 P23280 1/20 0.39
CA9 Q16790 1/20 0.39
ACACB O00763 3/20 0.38
HTT P42858 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL18040395 0.92 CHRNB2 (0.43) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL16799698 0.85 NPC1 (0.40) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL2763424 0.83 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL16799962 0.83 NPC1 (0.39) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL46622 0.81 ASIC3 (0.48) KMT2ASLC7A11MAPK14CA12CA1
SCHEMBL16799806 0.81 NPC1 (0.39) NPC1RAB9ASMN1; SMN2KMT2ASLC7A11
SCHEMBL4973133 0.80 CA12 (0.56) KMT2ASLC7A11CA12CA1CA2
SCHEMBL18059157 0.79 CHRNB2 (0.49) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL16719359 0.78 PTGDR2 (0.54) KMT2APTGDR2SLC7A11CA12CA1
SCHEMBL45751 0.78 KMT2A (0.42) NPC1RAB9ASMN1; SMN2KMT2ACA12

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 CHRNB2 3964/4885CHRNA4 4217/4885NPC1 204/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CHRNB2 3964/4885CHRNA4 4217/4885NPC1 204/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 CHRNB2 4115/4885CHRNA4 4328/4885NPC1 160/4885

“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.