SCHEMBL4730459

SCHEMBL4730459

O=S(=O)(c1cc[c]cc1)c1ncc[nH]1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.39
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MET P08581 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
SCHEMBL4728735 0.81 HTR6 (0.48) TXNRD1MET
SCHEMBL28102125 0.79 TSHR (0.52) TXNRD1CA1CA2
SCHEMBL1097174 0.79 GAA (0.52) TXNRD1CA1CA2
SCHEMBL502541 0.78 TXNRD1 (0.44) TXNRD1CA1CA2
Bromide SCHEMBL28322202 0.76 TXNRD1 (0.43) TXNRD1CA1CA2
SCHEMBL5755255 0.75 CA1 (0.46) TXNRD1CA1CA2
SCHEMBL28102213 0.75 KMT2A (0.51) TXNRD1CA1CA2
SCHEMBL4732482 0.72 NAMPT (0.39) TXNRD1
Hydrochloric Acid SCHEMBL28102214 0.72 TXNRD1 (0.49) TXNRD1CA1CA2
SCHEMBL818508 0.71 HTR6 (0.50)

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
WO-2008053199-A1 COMBINATION THERAPY FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2008-05-08 WO disclosed
EP-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 US disclosed
EP-1562902-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2005-08-17 EP disclosed
WO-2004043924-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2004-05-27 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-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 TXNRD1 909/4885CA1 4595/4885CA2 2787/4885

“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.