SCHEMBL46768

SCHEMBL46768

CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
GPR142 Q7Z601 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
USP36 Q9P275 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
BRAF P15056 3/20 0.39
RAF1 P04049 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL18040377 1.00 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL15444462 0.96 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL44892 0.92 ALDH1A1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL46789 0.92 ALDH1A1 (0.45) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL15432712 0.91 LMNA (0.47) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL15420818 0.89 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL46673 0.89 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL15432657 0.89 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
Hydrochloric Acid SCHEMBL15421171 0.89 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA
Hydrochloric Acid SCHEMBL15421169 0.89 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2LMNA

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 11 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
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 ALDH1A1 2892/4885TAS1R3 1521/4885TAS1R1 1321/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 ALDH1A1 2892/4885TAS1R3 1521/4885TAS1R1 1321/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 ALDH1A1 3332/4885TAS1R3 3185/4885TAS1R1 3346/4885

“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.