SCHEMBL1706270

SCHEMBL1706270

COC(=O)c1coc(Cc2ccc(C3(C)OCCO3)s2)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CACNA1G O43497 5/20 0.36
KCNH2 Q12809 2/20 0.35
DAGLA Q9Y4D2 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
GSK3B P49841 2/20 0.32
PARP1 P09874 1/20 0.31
KLKB1 P03952 1/20 0.31
P2RX3 P56373 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL1705848 0.87 PTGER1 (0.31) KLKB1
SCHEMBL1706944 0.86 PTGER1 (0.30)
SCHEMBL1705881 0.77 DAGLA (0.39) SLC6A2SLC6A4SLC6A3CACNA1GKCNH2
SCHEMBL1707516 0.71 DAGLA (0.41) SLC6A2SLC6A4SLC6A3CACNA1GKCNH2
SCHEMBL11910637 0.70 DAGLA (0.55) SLC6A2SLC6A4SLC6A3CACNA1GDAGLA
SCHEMBL15001329 0.69 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CACNA1GKCNH2
SCHEMBL16130104 0.68 DAGLA (0.43) SLC6A2SLC6A4SLC6A3CACNA1GKCNH2
SCHEMBL2116168 0.68 DAGLA (0.43) SLC6A2SLC6A4SLC6A3CACNA1GKCNH2
SCHEMBL1975554 0.68 KLKB1 (0.56) SLC6A2SLC6A4SLC6A3CACNA1GDAGLA
SCHEMBL1974766 0.67 DAGLA (0.42) SLC6A2SLC6A4SLC6A3CACNA1GKCNH2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803237-B Oxazole and thiazole derivatives as alx receptor agonists ACTELION PHARMACEUTICALS LTD 2014-09-24 CN disclosed
US-8674111-B2 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-18 US disclosed
EP-2440536-B1 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2013-11-06 EP disclosed
CN-102803237-A Oxazole and thiazole derivatives as alx receptor agonists ACTELION PHARMACEUTICALS LTD 2012-11-28 CN disclosed
US-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2440536-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP disclosed
WO-2010143158-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 WO 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-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS P2RX1, GLP1R, P2RX7 SLC6A2 2685/4885SLC6A4 2060/4885SLC6A3 2382/4885

“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.