SCHEMBL6402011

SCHEMBL6402011

CC(CC(O)(O)c1ccc(O)cc1SP(=O)(O)O)c1ccc(O)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
MIF P14174 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL6401191 0.90 ESR1 (0.35) ESR1ESR2MIFPDCD1CD274
SCHEMBL6396854 0.89 ADRB1 (0.33) MIFMAPKAPK2
SCHEMBL6397008 0.83 ESR1 (0.33) ESR1ESR2MIF
SCHEMBL6402017 0.82 ESR1 (0.38) ESR1ESR2MIFPDCD1CD274
SCHEMBL6395849 0.82 MAPKAPK2 (0.33) ESR1ESR2MAPKAPK2PDCD1CD274
SCHEMBL6397651 0.80 ADRB1 (0.33) MIFMAPKAPK2
SCHEMBL6401196 0.79 ESR1 (0.38) ESR1ESR2MIFPDCD1CD274
SCHEMBL6397391 0.78 ESR1 (0.33) ESR1ESR2MIF
SCHEMBL6403807 0.78 ESR1 (0.35) ESR1ESR2
SCHEMBL6398673 0.78 ESR1 (0.35) ESR1ESR2MIFPDCD1CD274

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 2 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2416/4885MIF 1786/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 ESR1 2885/4885ESR2 2416/4885MIF 1786/4885

“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.