SCHEMBL599996

SCHEMBL599996

CCOCCCOc1cc[n+]([O-])cc1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
NCF1 P14598 1/20 0.31
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 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
SCHEMBL601767 0.84 ESR1 (0.40) GPR84TDP1GAACYP2C19MAPT
SCHEMBL600103 0.83 GPR84 (0.37) GPR84PTGDR2TDP1GAAMAPT
SCHEMBL600127 0.79 GPR84 (0.36) GPR84PTGDR2CYP2D6CYP2C19HTT
SCHEMBL601078 0.78 ALDH1A1 (0.42) GPR84PTGDR2CYP2D6CYP2C19
SCHEMBL600160 0.78 GPR84 (0.35) GPR84TDP1MAPTL3MBTL1HPGD
SCHEMBL599628 0.74 GPR84 (0.35) GPR84TDP1CYP2D6CYP2C19MAPT
SCHEMBL8548230 0.67 NCF1 (0.35) NCF1MAPTL3MBTL1
SCHEMBL9716208 0.65 GPR84 (0.32) GPR84
SCHEMBL1710110 0.64 TDP1 (0.53) TDP1GAACYP2D6CYP2C19NCF1
SCHEMBL11599623 0.63 PDE4A (0.34) GPR84PTGDR2

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 GPR84 3620/4885PTGDR2 307/4885TDP1 2594/4885

“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.