SCHEMBL13452437

SCHEMBL13452437

CNCc1ccc(OC)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.54
PTPN7 P35236 2/20 0.47
DUSP3 P51452 2/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1E P28566 1/20 0.46
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.46
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
S1PR1 P21453 1/20 0.43
CA2 P00918 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
ROCK2 O75116 1/20 0.42
AR P10275 1/20 0.40

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
SCHEMBL15432479 0.84 PTPN7 (0.45) PTPN7DUSP3HTR2AHTR2CALDH1A1
SCHEMBL18482218 0.83 CASR (0.47) PTPN7DUSP3ALDH1A1S1PR1ROCK2
SCHEMBL6777347 0.81 ALDH1A1 (0.44) PTPN7DUSP3ALDH1A1POLBS1PR1
SCHEMBL12013165 0.81 S1PR1 (0.46) PTPN7DUSP3HTR2AHTR2CS1PR1
SCHEMBL31435356 0.79 S1PR1 (0.58) PTPN7DUSP3HTR2AHTR2CALDH1A1
SCHEMBL31435397 0.79 TTR (0.49) PTPN7DUSP3HTR2AHTR2CALDH1A1
SCHEMBL29783248 0.79 S1PR1 (0.45) PTPN7DUSP3HTR2AHTR2CS1PR1
SCHEMBL1437536 0.79 S1PR1 (0.58) PTPN7DUSP3HTR2AHTR2CALDH1A1
SCHEMBL13461851 0.79 S1PR1 (0.45) PTPN7DUSP3HTR2AHTR2CS1PR1
SCHEMBL2023009 0.79 TTR (0.49) PTPN7DUSP3HTR2AHTR2CALDH1A1

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 8 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-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-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP 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 HTR7 1999/4885PTPN7 1515/4885DUSP3 905/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 HTR7 1999/4885PTPN7 1515/4885DUSP3 905/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 HTR7 2385/4885PTPN7 2213/4885DUSP3 985/4885

“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.