SCHEMBL40182

SCHEMBL40182

CN(CCN1CCCCC1C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
SLC6A1 P30531 4/20 0.50
FKBP1A P62942 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.43
CD274 Q9NZQ7 2/20 0.43
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42

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
SCHEMBL40181 1.00 SIGMAR1 (0.54) SIGMAR1SLC6A1FKBP1ASMN1; SMN2POLB
SCHEMBL40124 0.90 FKBP1A (0.53) SIGMAR1FKBP1APOLB
SCHEMBL40125 0.90 FKBP1A (0.53) SIGMAR1FKBP1APOLB
SCHEMBL15444464 0.81 SIGMAR1 (0.43) SIGMAR1FKBP1ASMN1; SMN2
SCHEMBL15432839 0.81 SIGMAR1 (0.43) SIGMAR1FKBP1ASMN1; SMN2
SCHEMBL40126 0.81 SIGMAR1 (0.52) SIGMAR1SLC6A1FKBP1ASMN1; SMN2POLB
SCHEMBL4283767 0.80 HRH3 (0.56) SIGMAR1SMN1; SMN2
SCHEMBL18734805 0.77 SMN1; SMN2 (0.51) SIGMAR1SLC6A1FKBP1ASMN1; SMN2POLB
SCHEMBL19880370 0.77 SMN1; SMN2 (0.51) SIGMAR1SLC6A1FKBP1ASMN1; SMN2POLB
SCHEMBL19880369 0.77 SMN1; SMN2 (0.51) SIGMAR1SLC6A1FKBP1ASMN1; SMN2POLB

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
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
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO 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
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 SIGMAR1 1812/4885SLC6A1 41/4885FKBP1A 2199/4885

“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.