SCHEMBL3500242

SCHEMBL3500242

O=[N+]([O-])c1ccc(Sc2ccc(C(F)(F)F)cc2)c2nonc12

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.74
GSTP1 P09211 16/20 0.70
GSTM2 P28161 16/20 0.70

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
SCHEMBL297980 0.85 IDO1 (1.00) IDO1GSTP1GSTM2
SCHEMBL6833698 0.84 IDO1 (0.78) IDO1GSTP1GSTM2
SCHEMBL18895761 0.83 IDO1 (0.76) IDO1GSTP1GSTM2
SCHEMBL6049433 0.83 IDO1 (0.76) IDO1GSTP1GSTM2
SCHEMBL297920 0.83 IDO1 (1.00) IDO1GSTP1GSTM2
SCHEMBL6831327 0.83 IDO1 (0.76) IDO1GSTP1GSTM2
SCHEMBL6831349 0.83 IDO1 (0.76) IDO1GSTP1GSTM2
SCHEMBL18895758 0.83 IDO1 (0.76) IDO1GSTP1GSTM2
SCHEMBL6836307 0.82 GSTP1 (1.00) IDO1GSTP1GSTM2
SCHEMBL18878890 0.82 GSTP1 (0.77) IDO1GSTP1GSTM2

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-9664696-B1 Compounds for determining the presence of hydrogen sulfide and methods of use UNIVERSITY OF OREGON (US) 2017-05-30 US disclosed
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
EP-2190290-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS University Of Durham (GB) 2010-06-02 EP disclosed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 WO disclosed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 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-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants GSTO1, GSTP1, GSR IDO1 3045/4885GSTP1 2/4885GSTM2 5/4885

“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.