SCHEMBL301085

SCHEMBL301085

COc1ccc(S(=O)(=O)OCCSc2ccc([N+](=O)[O-])c3nonc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 17/20 0.57
GSTM2 P28161 17/20 0.57
IDO1 P14902 1/20 0.49

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
SCHEMBL26425058 0.81 GSTP1 (0.64) GSTP1GSTM2
SCHEMBL298137 0.79 GSTP1 (0.72) GSTP1GSTM2IDO1
SCHEMBL18878879 0.76 IDO1 (0.74) GSTP1GSTM2IDO1
SCHEMBL6049348 0.73 GSTP1 (0.74) GSTP1GSTM2IDO1
SCHEMBL296538 0.73 GSTP1 (0.58) GSTP1GSTM2
SCHEMBL296539 0.73 GSTP1 (0.58) GSTP1GSTM2
SCHEMBL300204 0.72 GSTP1 (0.82) GSTP1GSTM2
SCHEMBL6049336 0.72 GSTP1 (1.00) GSTP1GSTM2
SCHEMBL5246257 0.71 IDO1 (0.63) GSTP1GSTM2IDO1
SCHEMBL6056044 0.71 GSTP1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 US claimed
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 US disclosed
US-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2012-05-17 US disclosed
EP-2427442-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128156-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 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-20120122896-A1 2,1,3-BENZOXADIAZOL DERIVATIVES FOR THE INHIBITION OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION TENT4B, IRF3, MAVS GSTP1 1679/4885GSTM2 2265/4885IDO1 196/4885

“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.