Sugi Predict

Sugi Predict / Compounds / SCHEMBL7994014

SCHEMBL7994014

SCHEMBL7994014

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C(=O)C2=CC=CB2)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 19/20 0.39
▸ FEN1 P39748 19/20 0.39
▸ F10 P00742 1/20 0.36

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
SCHEMBL7994030 0.88 F10 (0.36) F10
SCHEMBL7995479 0.85 F10 (0.44) ALOX5APFEN1F10
SCHEMBL7995536 0.85 ALOX5AP (0.48) ALOX5APFEN1
SCHEMBL7994138 0.85 ALOX5AP (0.51) ALOX5APFEN1
SCHEMBL8001455 0.80 ALOX5AP (0.45) ALOX5APFEN1
SCHEMBL7994011 0.79 ALOX5AP (0.42) ALOX5APFEN1
SCHEMBL7994283 0.72 F2 (0.38) ALOX5APFEN1
SCHEMBL7995486 0.72 ALOX5AP (0.38) ALOX5APFEN1F10
SCHEMBL6626958 0.71 ALOX5AP (0.53) ALOX5APFEN1
SCHEMBL7984034 0.69 ALOX5AP (0.47) ALOX5APFEN1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810858-A4 BORONIC ACID AND ESTER INHIBITORS OF THROMBIN DU PONT PHARM CO (US) 2000-11-15 — — EP disclosed
EP-0810858-A2 BORONIC ACID AND ESTER INHIBITORS OF THROMBIN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-12-10 — — EP disclosed
WO-1996020689-A2 BORONIC ACID AND ESTER INHIBITORS OF THROMBIN THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-11 — — WO disclosed