Sugi Predict

Sugi Predict / Compounds / Deracoxib

Deracoxib

Deracoxib

SCHEMBL6601340

COc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1F.[SeH2]

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 19/20 0.98
▸ PTGS1 P23219 12/20 0.98
▸ ABCB11 O95342 1/20 0.98
▸ ALDH1A1 P00352 1/20 0.98

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
Deracoxib SCHEMBL24645 0.99 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1
Deracoxib SCHEMBL29593653 0.99 PTGS2 (1.00) PTGS2PTGS1ABCB11ALDH1A1
Deracoxib SCHEMBL28723602 0.98 PTGS2 (0.98) PTGS2PTGS1ABCB11ALDH1A1
Deracoxib SCHEMBL6599167 0.94 PTGS2 (0.91) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6343102 0.91 PTGS2 (0.84) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6341965 0.90 PTGS2 (0.83) PTGS2PTGS1ABCB11ALDH1A1
SCHEMBL6349615 0.89 PTGS2 (0.81) PTGS2PTGS1ABCB11ALDH1A1
Deracoxib SCHEMBL6909431 0.89 PTGS2 (0.80) PTGS2PTGS1ABCB11ALDH1A1
Deracoxib SCHEMBL6598846 0.88 PTGS2 (0.79) PTGS2PTGS1ABCB11ALDH1A1
Deracoxib SCHEMBL6598844 0.88 PTGS2 (0.79) PTGS2PTGS1ABCB11ALDH1A1

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 disclosed
WO-2002085459-A2 ANTIANGIOGENIC COMBINATION THERAPY FOR THE TREATMENT OF CANCER PHARMACIA CORPORATION (US) 2002-10-31 — — WO disclosed