SCHEMBL602915

SCHEMBL602915

CC(=O)OCCCCCCCCOc1cc[nH]c(=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RY12 Q9H244 2/20 0.37
ALDH1A1 P00352 3/20 0.36
PRKCA P17252 4/20 0.34
GAA P10253 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL599891 0.84 PTGS2 (0.39) PTGS2PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL601236 0.82 DAO (0.34) P2RY12ALDH1A1GAA
SCHEMBL600960 0.80 GPR84 (0.39) ALDH1A1
SCHEMBL601804 0.79 PTGS2 (0.53) PTGS2PDE3BPDE3AP2RY12ALDH1A1
SCHEMBL4740615 0.73 MEN1 (0.53) PTGS2ALDH1A1GAA
SCHEMBL601506 0.72 P2RY12 (0.34) P2RY12ALDH1A1
SCHEMBL24087412 0.71 LMNA (0.51) PTGS2ALDH1A1
SCHEMBL11946222 0.70 PTGS2 (0.52) PTGS2ALDH1A1PRKCA
SCHEMBL4441760 0.68 ALDH1A1 (0.70) PTGS2ALDH1A1GAA
SCHEMBL11492305 0.68 ALDH1A1 (0.70) PTGS2ALDH1A1GAA

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 347/4885PDE3B 1326/4885PDE3A 1323/4885

“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.