SCHEMBL600818

SCHEMBL600818

CCCCCSc1cc[n+]([O-])cc1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
HTT P42858 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
SOAT1 P35610 5/20 0.32
GPR84 Q9NQS5 2/20 0.32
THRB P10828 2/20 0.32
TLR8 Q9NR97 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
SCHEMBL600959 0.90 CA12 (0.35) PTGS2
SCHEMBL5237073 0.75 MAOA (0.41) PTGS2SOAT1GPR84THRB
SCHEMBL12301175 0.73 PTGS2 (0.53) PTGS2CYSLTR2CYSLTR1SOAT1TLR8
SCHEMBL600123 0.72
SCHEMBL5317518 0.72 PTGS2 (0.54) PTGS2CYSLTR2CYSLTR1SOAT1TLR8
SCHEMBL600446 0.70
SCHEMBL601767 0.70 ESR1 (0.40) HTTGPR84THRB
SCHEMBL7264640 0.67 PTGS2 (0.53) PTGS2HTTCYSLTR2CYSLTR1SOAT1
SCHEMBL14507226 0.67 TP53 (0.44) PTGS2HTTGPR84THRB
SCHEMBL27415378 0.66 PTGS2 (0.51) PTGS2HTTCYSLTR2CYSLTR1SOAT1

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 PTGS2 347/4885HTT 987/4885CYSLTR2 568/4885

“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.