SCHEMBL30599559

SCHEMBL30599559

O=C(Nc1cccc(C(F)(F)F)c1)OCCSc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 20/20 0.57
▸ GSTM2 P28161 20/20 0.57

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
SCHEMBL26797771 1.00 GSTP1 (0.57) GSTP1GSTM2
SCHEMBL26797780 0.89 GSTP1 (0.57) GSTP1GSTM2
SCHEMBL30599546 0.87 GSTP1 (0.57) GSTP1GSTM2
SCHEMBL26797772 0.87 GSTP1 (0.57) GSTP1GSTM2
SCHEMBL26797778 0.87 GSTP1 (0.70) GSTP1GSTM2
SCHEMBL26797775 0.87 GSTP1 (0.57) GSTP1GSTM2
SCHEMBL3712753 0.76 GSTP1 (0.65) GSTP1GSTM2
SCHEMBL14959168 0.74 GSTP1 (0.64) GSTP1GSTM2
SCHEMBL26797867 0.72 GSTP1 (0.40) GSTP1GSTM2
SCHEMBL26797894 0.72 GSTP1 (0.40) GSTP1GSTM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365516-A1 COMPOUNDS FOR CANCER THERAPY AND IMAGING WASHINGTON UNIVERSITY 2023-11-16 — — 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 (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-20230365516-A1 COMPOUNDS FOR CANCER THERAPY AND IMAGING MKI67, VHL, TP53 GSTP1 864/4885GSTM2 1336/4885

“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.

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