SCHEMBL7213397

SCHEMBL7213397

O=[C]c1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.64
PTGS1 P23219 4/20 0.64
EGFR P00533 6/20 0.57
FLT1 P17948 5/20 0.55
FLT4 P35916 5/20 0.55
KDR P35968 5/20 0.55
GAA P10253 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ERBB2 P04626 1/20 0.48

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
SCHEMBL7209929 0.85 FLT1 (0.79) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL9185479 0.85 FLT1 (0.55) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL16634417 0.84 FLT1 (0.67) PTGS2PTGS1FLT1FLT4KDR
SCHEMBL7319450 0.84 FLT1 (0.58) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL24347999 0.81 PTGS2 (0.67) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL4464235 0.81 PTGS2 (0.71) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL7213399 0.79 PTGS2 (0.64) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL7367486 0.78 PTGS2 (0.68) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL8203822 0.78 FLT1 (0.77) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL13590894 0.78 MAOA (0.62) PTGS2PTGS1FLT1FLT4KDR

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172044-B1 ELASTASE INHIBITORS; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-01-09 US claimed
EP-0863915-B1 ACYLATED ENOL DERIVATIVES OF ALPHA-KETOESTERS AND ALPHA-KETOAMIDES HOECHST MARION ROUSSEL INC (US) 2000-02-02 EP claimed
US-5948886-A ELASTASE INHIBITORS OR PRODRUGS; FOR TREATMENT OF EMPHYSEMA, CYSTIC FIBROSIS, ADULT RESPIRATORY DISTRESS SYNDROME, GOUT, DISSEMINATED INTRAVASCULAR COAGULATION, RHEUMATOID ARTHRITIS, CHRONIC BRONCHITIS, INFLAMMATORY BOWEL DISEASE, SEPTICEMIA HOECHST MARION ROUSSEL, INC. (US) 1999-09-07 US claimed
EP-0863915-A1 ACYLATED ENOL DERIVATIVES OF $g(a)-KETOESTERS AND $g(a)-KETOAMIDES HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP claimed
WO-1997020856-A1 ACYLATED ENOL DERIVATIVES OF α-KETOESTERS AND α-KETOAMIDES HOECHST MARION ROUSSEL, INC. (US) 1997-06-12 WO claimed
EP-0362002-B1 HIV protease inhibitors MERRELL DOW PHARMA (US) 1995-07-26 EP claimed
US-6617426-B1 Peptide analogs of given formula; useful in treating neurodegenerative, autoimmune, cognitive disorders, stroke and traumatic injury MERCK SHARP & DOHME CORP. 2003-09-09 US disclosed
EP-1194443-A1 CYSTEINYL PROTEASE INHIBITORS Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-6172044-B1 ELASTASE INHIBITORS; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-01-09 US disclosed
WO-2000078794-A1 CYSTEINYL PROTEASE INHIBITORS MERCK & CO., INC. (US) 2000-12-28 WO disclosed
US-6153171-A Methods for identifying compounds effective for treating neurodegenerative disorders and for monitoring the therapeutic intervention therefor SIBIA NEUROSCIENCES, INC. (US) 2000-11-28 US disclosed
EP-0707564-B1 DIFLUORO STATONE ANALOGS MERRELL PHARMA INC (US) 2000-09-20 EP disclosed
US-6114380-A ANTIVIRAL AGENT; ADMINISTERING TO TREAT HIV INFECTION; N-(4-(N-BENZYLOXYCARBONYL-L-VALYL)AMINO-2,2-DIFLUORO-1,3-DIOXO-5-(4-(2-N -MORPHOLYL)ETHYLOXY)PHENYL-PENTYL)-O-((2-PYRIDYL)METHYL)-D-VALINOL, FOR EXAMPLE MERRELL PHARMACEUTICALS INC. (US) 2000-09-05 US disclosed
EP-0410411-A2 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1991-01-30 EP disclosed
EP-0371179-A1 Novel analogs of peptidase substrates MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-06 EP disclosed
EP-0368719-A2 Novel analogs of peptidase substrates MERRELL PHARMACEUTICALS INC. (US) 1990-05-16 EP disclosed
EP-0364344-A2 Novel peptidase inhibitors MERRELL PHARMACEUTICALS INC. (US) 1990-04-18 EP disclosed
EP-0363284-A2 Use of peptidase inhibitors for the preparation of medicaments useful for the treatment of strokes MERRELL PHARMACEUTICALS INC. (US) 1990-04-11 EP disclosed
EP-0362002-A1 HIV protease inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-04 EP disclosed
EP-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed