SCHEMBL601804

SCHEMBL601804

CC(=O)OCCCCCCCCSc1cc[nH]c(=O)c1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.53
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 4/20 0.33
FAAH O00519 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
P2RY12 Q9H244 1/20 0.32
GSTP1 P09211 1/20 0.31
GSTM2 P28161 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
SCHEMBL600516 0.86 PTGS2 (0.52) PTGS2NPC1LMNAPKMHTT
SCHEMBL599638 0.84 KDM4E (0.34) PTGS2PKMALDH1A1
SCHEMBL602915 0.79 PTGS2 (0.39) PTGS2ALDH1A1PDE3BPDE3AP2RY12
SCHEMBL601768 0.73 PTGS2 (0.35) PTGS2PKMHTTALDH1A1
SCHEMBL3920674 0.68 PTGS2 (0.62) PTGS2NPC1LMNARAB9AALDH1A1
SCHEMBL599891 0.67 PTGS2 (0.39) PTGS2LMNAHTTALDH1A1PDE3B
SCHEMBL11662106 0.66 HDAC3 (0.54) PTGS2LMNAPKMHTTRAB9A
SCHEMBL9810752 0.65 RAB9A (0.58) PTGS2NPC1LMNAPKMHTT
SCHEMBL18784399 0.65 ALDH1A1 (0.54) PTGS2LMNARAB9AALDH1A1
SCHEMBL18784610 0.65 ALDH1A1 (0.54) PTGS2LMNARAB9AALDH1A1

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 347/4885NPC1 2692/4885LMNA 4881/4885

“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.