SCHEMBL4610558

SCHEMBL4610558

O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1[CH]CCC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACLY P53396 17/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44

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
SCHEMBL4612664 0.81 ACLY (0.62) ACLYCA1CA2
SCHEMBL12626450 0.75 ACLY (0.59) ACLYCA1CA2F2PRSS1
SCHEMBL10068284 0.74 ACLY (0.62) ACLYCA1CA2
SCHEMBL6809423 0.74 CNR1 (0.42)
SCHEMBL4610646 0.72 ACLY (0.67) ACLYCA1CA2
SCHEMBL4610642 0.72 ACLY (0.67) ACLYCA1CA2
SCHEMBL4612655 0.72 ACLY (0.67) ACLYCA1CA2
SCHEMBL10037141 0.71 ACLY (0.58) ACLYCA1CA2F2PRSS1
SCHEMBL4611818 0.71 ACLY (0.54) ACLYCA1CA2F2PRSS1
SCHEMBL4611418 0.71 ACLY (0.62) ACLYCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981845-A2 SULFONAMIDE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2008-10-22 EP claimed
WO-2007092558-A2 SULFONAMIDE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2007-08-16 WO claimed
EP-1981845-A2 SULFONAMIDE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2008-10-22 EP disclosed
WO-2007092558-A2 SULFONAMIDE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2007-08-16 WO disclosed