SCHEMBL4733697

SCHEMBL4733697

C=Cc1cc(OS(=O)(=O)O)cc2nc(-c3ccc(O)c(F)c3)oc12.[Na]

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 20/20 0.67
ESR1 P03372 17/20 0.67

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
SCHEMBL3930667 0.99 ESR2 (0.68) ESR2ESR1
SCHEMBL4733695 0.98 ESR2 (0.67) ESR2ESR1
SCHEMBL3925626 0.88 ESR2 (0.66) ESR2ESR1
SCHEMBL14170020 0.86 ESR2 (0.51) ESR2ESR1
SCHEMBL4077806 0.84 ESR2 (0.70) ESR2ESR1
SCHEMBL3930802 0.84 ESR2 (0.69) ESR2ESR1
SCHEMBL2401903 0.83 ESR2 (0.68) ESR2ESR1
SCHEMBL3924579 0.83 ESR2 (0.48) ESR2ESR1
SCHEMBL4736120 0.81 ESR2 (0.68) ESR2ESR1
SCHEMBL12266867 0.81 ESR2 (0.68) ESR2ESR1

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-20080139819-A1 Process for the Synthesis of Monosulfated Derivatives of Substituted Benzoxazoles WYETH (US) 2008-06-12 US disclosed
WO-2008067425-A1 PROCESS FOR THE SYNTHESIS OF MONOSULFATED DERIVATIVES OF SUBSTITUTED BENZOXAZOLES WYETH (US) 2008-06-05 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 (1 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-20080139819-A1 Process for the Synthesis of Monosulfated Derivatives of Substituted Benzoxazoles SULT1A1, STS, SULT2A1 ESR2 10/4885ESR1 7/4885

“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.