SCHEMBL6396228

SCHEMBL6396228

O=P(O)(O)c1cccc(O)c1C(O)(O)CCc1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
SGMS1 Q86VZ5 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
CYP19A1 P11511 2/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 1/20 0.35
HTR2B P41595 1/20 0.34
ALPG P10696 1/20 0.33
PTK2B Q14289 1/20 0.33
FDPS P14324 4/20 0.33
NR1H3 Q13133 1/20 0.33
CA2 P00918 1/20 0.33
KEAP1 Q14145 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR3A P46098 1/20 0.32

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
SCHEMBL6401821 0.92 ACHE (0.41) ACHESGMS1SGMS2CYP19A1ESR1
SCHEMBL6396873 0.86 DRD2 (0.40) HTR2BNR1H3TAAR1
SCHEMBL6397135 0.86 FDPS (0.39) ACHESGMS1SGMS2CYP19A1ESR1
SCHEMBL6403605 0.83 ESR1 (0.40) ACHESGMS1SGMS2CYP19A1ESR1
SCHEMBL6398312 0.81 INPPL1 (0.41) ACHESGMS1SGMS2CYP19A1ESR1
SCHEMBL6396224 0.80 ACHE (0.35) ACHESGMS1SGMS2CYP19A1ESR1
SCHEMBL6404217 0.79 MGLL (0.39) HTR2BFDPSTAAR1
SCHEMBL6397392 0.76 ESR1 (0.36) ESR1ESR2
SCHEMBL6398849 0.76 SLC28A3 (0.44) ACHESGMS1SGMS2CYP19A1ESR1
SCHEMBL6394421 0.75 GGPS1 (0.40) ALPGPTK2BFDPSTAAR1CYP1A2

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 5 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

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 ACHE 4868/4885SGMS1 3968/4885SGMS2 4314/4885
US-20020133036-A1 Inhibitors of intestinal apical membrane Na/phosphate co-transportation SLC10A2, SLC34A3, SLC34A1 ACHE 4865/4885SGMS1 4101/4885SGMS2 4281/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 ACHE 4868/4885SGMS1 3968/4885SGMS2 4314/4885

“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.