SCHEMBL7213399

SCHEMBL7213399

O=Cc1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.64
PTGS1 P23219 4/20 0.64
EGFR P00533 4/20 0.57
FLT1 P17948 5/20 0.55
FLT4 P35916 5/20 0.55
KDR P35968 5/20 0.55
CA1 P00915 2/20 0.50
CA2 P00918 2/20 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
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
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
SCHEMBL7209934 0.85 FLT1 (0.79) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL6276451 0.84 FLT1 (0.67) PTGS2PTGS1FLT1FLT4KDR
SCHEMBL7319458 0.84 FLT1 (0.58) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL14282630 0.81 FLT1 (0.51) PTGS2FLT1FLT4KDRMEN1
SCHEMBL24347999 0.81 PTGS2 (0.67) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL4464235 0.81 PTGS2 (0.71) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL7213397 0.79 PTGS2 (0.64) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL7367486 0.78 PTGS2 (0.68) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL8203822 0.78 FLT1 (0.77) PTGS2PTGS1EGFRFLT1FLT4
SCHEMBL27901399 0.76 MEN1 (0.57) PTGS2PTGS1EGFRCA1CA2

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 30 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-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
US-6172044-B1 ELASTASE INHIBITORS; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS AVENTIS PHARMACEUTICALS INC. 2001-01-09 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-0863915-B1 ACYLATED ENOL DERIVATIVES OF ALPHA-KETOESTERS AND ALPHA-KETOAMIDES HOECHST MARION ROUSSEL INC (US) 2000-02-02 EP disclosed
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 disclosed
EP-0717731-B1 DIFLUORO STATONE ANTIVIRAL ANALOGS MERRELL PHARMA INC (US) 1999-04-21 EP disclosed
EP-0364344-B1 Novel peptidase inhibitors MERRELL PHARMA INC (US) 1998-05-06 EP disclosed
WO-1992012123-A1 ANTI-VIRAL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-23 WO disclosed
US-5114927-A Hypotensive agents and inhibiting renin MERRELL DOW PHARMACEUTICALS INC. (US) 1992-05-19 US disclosed
EP-0417721-A2 Novel peptidase and isomerase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-20 EP 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-0356595-A1 Novel peptidase inhibitors MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-07 EP disclosed