SCHEMBL600645

SCHEMBL600645

COCCCCCCCCSc1cc[nH]c(=S)c1C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 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
SCHEMBL599908 0.99 KDM4E (0.35) KDM4EALDH1A1PKM
SCHEMBL599638 0.83 KDM4E (0.34) KDM4EPTGS2ALDH1A1PKM
SCHEMBL601650 0.82 PTGS2 (0.36) PTGS2
SCHEMBL601383 0.77 PTGS2 (0.32) PTGS2
SCHEMBL601804 0.68 PTGS2 (0.53) PTGS2ALDH1A1PKM
SCHEMBL600537 0.67 HDAC8 (0.31)
SCHEMBL18364633 0.66 KDM4E (0.33) KDM4EALDH1A1PKM
SCHEMBL27283657 0.66 KDM4E (0.37) KDM4EPTGS2ALDH1A1PKM
SCHEMBL600158 0.64 CYP2C9 (0.42) KDM4EPTGS2
SCHEMBL600143 0.63 ALDH1A1 (0.34) KDM4EALDH1A1

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 KDM4E 3364/4885PTGS2 347/4885ALDH1A1 1770/4885

“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.