SCHEMBL6841577

SCHEMBL6841577

Cc1c(SCCO)cc[n+]([O-])c1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.33
S100A4 P26447 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31

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
SCHEMBL6834976 0.90 CA2 (0.38) CA2
SCHEMBL8687335 0.89 CA2 (0.37) CA2
SCHEMBL8914984 0.83
SCHEMBL8914514 0.75 MAP2K7 (0.30) CDC25ACDC25B
SCHEMBL8917405 0.75 MAP2K7 (0.30) CDC25ACDC25B
SCHEMBL2158372 0.74
SCHEMBL8914385 0.73 POLB (0.42)
SCHEMBL6865366 0.69 TSHR (0.39)
SCHEMBL6839095 0.66 IDO1 (0.34)
SCHEMBL8915228 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806371-B2 BY MEANS OF PHASE TRANSFER CATALYSIS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2004-10-19 US disclosed
US-20040063957-A1 Preparation of substituted pyridine N-oxide compounds DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2004-04-01 US disclosed
US-6162809-A Pyridylthio compounds for controlling helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-12-19 US disclosed
US-5922720-A PHARMACEUTICAL FOR USE IN TREATMENT OF DISEASES BASED ON HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-07-13 US disclosed
US-5859030-A Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-01-12 US disclosed
US-5773451-A BACTERICIDES FOR HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-06-30 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-20040063957-A1 Preparation of substituted pyridine N-oxide compounds HRH2, SCO2, CBR1 CA2 402/4885S100A4 3456/4885CDC25A 762/4885

“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.