SCHEMBL600457

SCHEMBL600457

Cc1c(SCCOCCOCC(F)(F)F)cc[nH]c1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.32
DAO P14920 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL599682 0.85
SCHEMBL601831 0.77 MEN1 (0.33) KDM4ENPSR1
SCHEMBL601768 0.73 PTGS2 (0.35) KDM4ENPSR1
SCHEMBL6861850 0.70 NPC1 (0.33) NPSR1
SCHEMBL6867918 0.70 NPC1 (0.33) NPSR1
SCHEMBL600788 0.69
SCHEMBL600446 0.67
SCHEMBL600956 0.64 MEN1 (0.33)
SCHEMBL601673 0.63 PARP1 (0.33) DAOKDM4E
SCHEMBL1718051 0.60 CA1 (0.33)

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 PNP 529/4885DAO 3349/4885KDM4E 3364/4885

“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.