SCHEMBL599628

SCHEMBL599628

Cc1c[n+]([O-])ccc1OCCOCCOCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4A P27815 1/20 0.31
PDE4D Q08499 1/20 0.31
LMNA P02545 2/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 2/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL600160 0.82 GPR84 (0.35) GPR84ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL600446 0.77
SCHEMBL600103 0.76 GPR84 (0.37) GPR84ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL599996 0.74 GPR84 (0.34) GPR84CYP2D6TDP1MAPTCYP2C19
SCHEMBL601767 0.73 ESR1 (0.40) GPR84ALDH1A1KDM4ELMNACYP1A2
SCHEMBL17815756 0.72 HTR1A (0.50) ALDH1A1KDM4ESMN1; SMN2LMNATSHR
SCHEMBL600127 0.72 GPR84 (0.36) GPR84ALDH1A1KDM4ELMNACYP2D6
SCHEMBL601078 0.71 ALDH1A1 (0.42) GPR84ALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL15776256 0.67 ALDH1A1 (0.37) GPR84ALDH1A1KDM4EMAPT
SCHEMBL600956 0.67 MEN1 (0.33) MAPT

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 3620/4885ALDH1A1 1770/4885KDM4E 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.