SCHEMBL1166876

SCHEMBL1166876

COC(=O)c1ncoc1-c1cccc(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.50
FBP1 P09467 1/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
HCRTR2 O43614 4/20 0.43
HCRTR1 O43613 2/20 0.43
ADORA2A P29274 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK2 P24941 5/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL1166864 0.90 CYP4F2 (0.52) GSK3BFBP1CYP4F2CYP4A11HCRTR2
SCHEMBL1166776 0.89 GSK3B (0.49) GSK3BFBP1CYP4F2CYP4A11HCRTR2
SCHEMBL5474080 0.89 LOXL2 (0.51) GSK3BFBP1CYP4F2CYP4A11HCRTR2
SCHEMBL1167066 0.86 GSK3B (0.53) GSK3BFBP1HCRTR2HCRTR1MEN1
SCHEMBL1166278 0.84 ADORA2A (0.50) GSK3BFBP1HCRTR2HCRTR1ADORA2A
SCHEMBL1167034 0.83 GSK3B (0.45) GSK3BFBP1CYP4F2CYP4A11HCRTR2
SCHEMBL9125394 0.82 GSK3B (0.64) GSK3BFBP1HCRTR2ADORA2AMEN1
SCHEMBL1166205 0.81 GSK3B (0.43) GSK3BFBP1CYP4F2CYP4A11HCRTR2
SCHEMBL1969272 0.81 ADORA2A (0.64) GSK3BFBP1HCRTR2HCRTR1ADORA2A
SCHEMBL1167542 0.81 FBP1 (0.47) GSK3BFBP1ADORA2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
CN-101903353-B Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2013-04-10 CN disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
CN-101903353-A Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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 (2 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 GSK3B 2540/4885FBP1 1879/4885CYP4F2 40/4885
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R GSK3B 3562/4885FBP1 1975/4885CYP4F2 699/4885

“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.