SCHEMBL5898253

SCHEMBL5898253

Cc1cc(C[O])cc(S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.37
RAPGEF4 Q8WZA2 1/20 0.34
LOX P28300 2/20 0.34
MAOB P27338 1/20 0.33
KCNH2 Q12809 1/20 0.33
AOC3 Q16853 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
GAA P10253 1/20 0.33
CYP19A1 P11511 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL5898261 0.82 PTGS2 (0.40) PTGS2RAPGEF4PGK1PGK2SMN1; SMN2
SCHEMBL3507953 0.79 PTGS2 (0.41) PTGS2RAPGEF4LOXGAAALDH1A1
SCHEMBL396658 0.77 PGK1 (0.42) PGK1PGK2ALDH1A1CYP3A4
SCHEMBL12087777 0.74 ALDH1A1 (0.48) FFAR4ALDH1A1
SCHEMBL15787334 0.74 MAOA (0.36) PTGS2LOXMAOBKCNH2AOC3
SCHEMBL5897967 0.71 PTGS2 (0.36) PTGS2RAPGEF4LOXGAAFFAR4
SCHEMBL7054313 0.71 ALDH1A1 (0.47) LOXLOXL2GAACYP19A1ALDH1A1
SCHEMBL27465652 0.70 MAOA (0.50) PTGS2LOXLOXL2PTGS1
SCHEMBL24757946 0.70 PTGS2 (0.40) PTGS2RAPGEF4FFAR4PTGS1
SCHEMBL2465936 0.70 PTGS2 (0.35) PTGS2RAPGEF4LOXGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US claimed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6884806-B2 Bicyclic lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-26 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US disclosed
US-6610731-B2 Antiinflammatory BRISTOL-MYERS SQUIBB COMPANY 2003-08-26 US disclosed
US-6495565-B2 FOR THERAPY OF ACUTE INFECTION, ACUTE PHASE RESPONSE, AGE RELATED MACULAR DEGENERATION, ALCOHOLISM, ANOREXIA, ASTHMA, AUTOIMMUNE DISEASE, AUTOIMMUNE HEPATITIS, BECHET'S DISEASE, CACHEXIA, CALCIUM PYROPHOSPHATE DIHYDRTATE DEPOSITION BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
US-6495548-B1 SUCH AS 3-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-N-HYDROXY-1-(4-((2-METHYL-4 -QUINOLINYL)METHOXY)PHENYL)-2-OXO-3-PYRROLIDINE ACETAMIDE; PREVENTING UNCONTROLLED BREAKDOWN OF CONNECTIVE TISSUE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-12-17 US disclosed
US-6455522-B1 ANTIINFLAMMATORY AGENTS; AGGRECANASE AND TUMOR NECROSIS FACTOR INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-24 US disclosed
US-6403632-B1 CYCLIC AMIDE DERIVATIVE BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-06-11 US disclosed
EP-1165546-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-ALPHA, AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059285-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed