Sugi Predict

Sugi Predict / Compounds / SCHEMBL6599517

SCHEMBL6599517

SCHEMBL6599517

CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OC(C(F)(F)F)C(C(=O)O)=C2.Cc1ccc2c(c1C)OC(C(F)(F)F)C(C(=O)O)=C2

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 20/20 0.55
▸ PTGS1 P23219 12/20 0.55

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
SCHEMBL6092273 0.89 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL29527760 0.89 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL216188 0.89 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL212863 0.85 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6093831 0.85 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL8289123 0.77 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5647020 0.76 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL27918820 0.75 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5646167 0.75 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL22540724 0.75 PTGS2 (0.78) PTGS2PTGS1

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-1414526-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER Pharmacia Corporation (US) 2004-05-06 — — EP claimed
WO-2002085459-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-31 — — WO claimed