SCHEMBL6403828

SCHEMBL6403828

O=P(O)(O)Sc1cccc(O)c1CCc1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.41
ACHE P22303 1/20 0.38
SGMS1 Q86VZ5 1/20 0.38
SGMS2 Q8NHU3 1/20 0.38
HTR2B P41595 1/20 0.38
CYP19A1 P11511 2/20 0.38
LTA4H P09960 1/20 0.36
SLC28A3 Q9HAS3 2/20 0.35
CA2 P00918 1/20 0.34
NR1H3 Q13133 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C19 P33261 2/20 0.33
IDO1 P14902 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR3A P46098 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL6401899 0.92 SLC28A3 (0.46) ESR1ESR2ACHESGMS1SGMS2
SCHEMBL6401967 0.92 ACHE (0.46) ESR1ACHESGMS1SGMS2CYP19A1
SCHEMBL6395069 0.86 DRD2 (0.41) HTR2BCA2NR1H3IDO1TAAR1
SCHEMBL6398082 0.82 SLC28A3 (0.49) ESR1ESR2ACHESGMS1SGMS2
SCHEMBL6395801 0.79 ESR1 (0.35) ESR1ESR2
SCHEMBL6397091 0.78 MGLL (0.41) HTR2BSLC28A3IDO1TAAR1
SCHEMBL6397017 0.78 CYP19A1 (0.54) ESR1ACHESGMS1SGMS2CYP19A1
SCHEMBL6403902 0.78 MGLL (0.44) HTR2BIDO1TAAR1
SCHEMBL6403831 0.77 ESR1 (0.45) ESR1ESR2ACHESGMS1SGMS2
SCHEMBL6398054 0.77 ANPEP (0.36) ESR1ESR2ACHESGMS1SGMS2

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-20050187195-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans PEERCE BRIAN E (US) 2005-08-25 US disclosed
US-6787528-B2 THERAPY FOR KIDNEY DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-09-07 US disclosed
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-08-28 US disclosed
US-20020133036-A1 Inhibitors of intestinal apical membrane Na/phosphate co-transportation PEERCE BRIAN E (US) 2002-09-19 US disclosed
US-6355823-B1 MEMBRANE SUBSTRATE PHOSPHATED FOR DRUGS FOR GASTROINTESTINAL DISORDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-03-12 US disclosed
EP-1175425-A2 INHIBITORS OF INTESTINAL APICAL MEMBRANE NA/PHOSPHATE CO-TRANSPORTATION THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-01-30 EP disclosed
WO-2000043402-A2 INHIBITORS OF INTESTINAL APICAL MEMBRANE NA/PHOSPHATE CO-TRANSPORTATION BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-07-27 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-20050187195-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 ESR1 2885/4885ESR2 2416/4885ACHE 4868/4885
US-20020133036-A1 Inhibitors of intestinal apical membrane Na/phosphate co-transportation SLC10A2, SLC34A3, SLC34A1 ESR1 3212/4885ESR2 2699/4885ACHE 4865/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 ESR1 2885/4885ESR2 2416/4885ACHE 4868/4885

“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.