SCHEMBL601650

SCHEMBL601650

CCCCCSc1cc[nH]c(=S)c1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.36
GPR84 Q9NQS5 4/20 0.34
PAK1 Q13153 1/20 0.34
THRB P10828 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
SOAT1 P35610 4/20 0.31
XDH P47989 1/20 0.31
TLR8 Q9NR97 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL601383 0.88 PTGS2 (0.32) PTGS2
SCHEMBL600645 0.82 KDM4E (0.34) PTGS2
SCHEMBL600158 0.81 CYP2C9 (0.42) PTGS2GPR84CYP2C9CYP2C19CYP1A2
SCHEMBL600516 0.77 PTGS2 (0.52) PTGS2
SCHEMBL11798763 0.75 PTGS2 (0.39) PTGS2GPR84PAK1THRBCYP2C9
SCHEMBL601317 0.69 MAPT (0.36) THRBCYP2C9CYP2C19CYP1A2TLR8
SCHEMBL8374078 0.67 TYR (0.47) PTGS2GPR84THRBCYSLTR2CYSLTR1
SCHEMBL28404539 0.66 EPHX2 (0.50) PTGS2CYSLTR2CYSLTR1
SCHEMBL28397899 0.66 EPHX2 (0.50) PTGS2CYSLTR2CYSLTR1
SCHEMBL28891540 0.66 EPHX2 (0.50) PTGS2CYSLTR2CYSLTR1

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 347/4885GPR84 3620/4885PAK1 2335/4885

“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.