SCHEMBL1683015

SCHEMBL1683015

N[C@@H](CCC(=O)O)C(=O)N[C@@H](CSCc1ccccc1I)C(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 3/20 0.45
▸ FOLH1 Q04609 3/20 0.39
▸ PTGS1 P23219 1/20 0.38
▸ GSTK1 Q9Y2Q3 1/20 0.38
▸ LTA4H P09960 2/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ BACE1 P56817 1/20 0.33

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
SCHEMBL433962 0.88 PTGS1 (0.54) GLO1FOLH1PTGS1GSTK1LTA4H
SCHEMBL27813998 0.83 GLO1 (0.41) GLO1ACE
SCHEMBL9448472 0.78 PTGS1 (0.41) GLO1PTGS1GSTK1LTA4HDPP4
SCHEMBL11867062 0.76 PTGS1 (0.54) GLO1FOLH1PTGS1GSTK1LTA4H
SCHEMBL11867085 0.76 PTGS1 (0.54) GLO1FOLH1PTGS1GSTK1LTA4H
SCHEMBL30751950 0.76 NAALAD2 (0.51) LTA4HACE
SCHEMBL30249512 0.75 PTGS1 (0.52) GLO1FOLH1PTGS1GSTK1
SCHEMBL5000996 0.74 GLO1 (0.59) GLO1FOLH1PTGS1GSTK1LTA4H
SCHEMBL11874436 0.74 GLO1 (0.59) GLO1FOLH1PTGS1GSTK1LTA4H
SCHEMBL29484218 0.73 CDC25B (0.51) GLO1PTGS1GSTK1DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011073662-A1 COMBINATION OF A BENZOXAZINONE AND A FURTHER AGENT FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-06-23 — — WO disclosed
EP-2303266-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY AstraZeneca AB (SE) 2011-04-06 — — EP disclosed
WO-2009154562-A1 PHARMACEUTICAL COMPOSITION COMPRISING A 4-HYDROXY-2-OXO-2, 3- DIHYDRO-1, 3-BENZOTHIAZOL-7-YL COMPOUND FOR MODULATION OF BETA2-ADRENORECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2009-12-23 — — WO disclosed
EP-2117542-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE AstraZeneca AB (SE) 2009-11-18 — — EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 — — EP disclosed
WO-2009037503-A2 NEW COMBINATION - 012 FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2009-03-26 — — WO disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 — — WO disclosed
WO-2008104776-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-09-04 — — WO disclosed
WO-2008096111-A1 COMBINATIONS OF BETA- 2 -ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 — — WO disclosed
WO-2008096121-A1 COMBINATIONS OF BETA-2-ADRENOCEPTOR AGONISTIC BENZOTHIAZOLONE ASTRAZENECA AB (SE) 2008-08-14 — — WO disclosed
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