SCHEMBL45473

SCHEMBL45473

Nc1ccc(C(F)(F)F)cc1-c1cc(C(=O)N[C@H]2CCCc3ccccc32)ccn1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
TAS1R3 Q7RTX0 6/20 0.54
TAS1R1 Q7RTX1 6/20 0.54
TAS1R2 Q8TE23 3/20 0.54
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
DHODH Q02127 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
CFD P00746 2/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL45474 1.00 HTT (0.55) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL44802 0.86 TAS1R3 (0.65) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL44803 0.86 TAS1R3 (0.65) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL15432711 0.86 LMNA (0.65) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL16923854 0.85 PDE2A (0.50) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL40433 0.84 ALDH1A1 (0.52) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL40217 0.84 ALDH1A1 (0.52) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL44987 0.83 KMT2A (0.52) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL40131 0.83 CTSS (0.52) HTTTAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL40168 0.83 KMT2A (0.52) HTTTAS1R3TAS1R1TAS1R2ALDH1A1

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
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
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 (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 HTT 4453/4885TAS1R3 1521/4885TAS1R1 1321/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 HTT 4453/4885TAS1R3 1521/4885TAS1R1 1321/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 HTT 3826/4885TAS1R3 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.