SCHEMBL602237

SCHEMBL602237

Cc1c[n+]([O-])ccc1SCCCCCCCCO

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.41
GSTP1 P09211 3/20 0.36
GSTM2 P28161 3/20 0.36

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
SCHEMBL600818 0.84 PTGS2 (0.37)
SCHEMBL600959 0.80 CA12 (0.35) CA2
SCHEMBL8687335 0.75 CA2 (0.37) CA2GSTP1GSTM2
SCHEMBL13162367 0.75 RAB9A (0.42) CA2GSTP1GSTM2
SCHEMBL601078 0.72 ALDH1A1 (0.42) CA2
SCHEMBL6834976 0.70 CA2 (0.38) CA2GSTP1GSTM2
SCHEMBL600446 0.68
SCHEMBL6438182 0.67 RAB9A (0.44) CA2
SCHEMBL9204297 0.64 SCN4A (0.42) CA2
SCHEMBL26121323 0.64 CA2 (0.57) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2420500-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION aRigen Pharmaceuticals, Inc. (JP) 2012-02-22 EP disclosed
US-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION LINK GENOMICS, INC. (JP) 2012-02-16 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-20120041030-A1 PYRIDINE THIO DERIVATIVE, AND PHARMACEUTICAL COMPOSITION WHICH CONTAINS SAME AND HAS ANTI-HELICOBACTER PYLORI ACTION TPMT, TST, PTPN11 CA2 2317/4885GSTP1 446/4885GSTM2 1408/4885

“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.