SCHEMBL4609883

SCHEMBL4609883

COC(=O)C1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACLY P53396 10/20 0.55
CASP3 P42574 1/20 0.47
HCRTR1 O43613 6/20 0.46
HCRTR2 O43614 6/20 0.46
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HSD11B1 P28845 1/20 0.42

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
SCHEMBL4628846 0.86 ACLY (0.58) ACLYHCRTR1HCRTR2HSD11B1
SCHEMBL4610371 0.85 ACLY (0.62) ACLY
SCHEMBL4611418 0.85 ACLY (0.62) ACLY
SCHEMBL5578249 0.83 ACLY (0.55) ACLYHCRTR1HCRTR2HSD11B1
SCHEMBL4610646 0.81 ACLY (0.67) ACLY
SCHEMBL4612655 0.81 ACLY (0.67) ACLY
SCHEMBL4610642 0.81 ACLY (0.67) ACLY
SCHEMBL3901904 0.81 ITGB1 (0.59) CASP3HCRTR1HCRTR2
SCHEMBL3901901 0.81 ITGB1 (0.59) CASP3HCRTR1HCRTR2
SCHEMBL31645166 0.81 HCRTR1 (0.53) CASP3HCRTR1HCRTR2HSD11B1

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 3 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 disclosed
US-20070225344-A1 Sulfonamide derivatives to treat infection with hepatitis C virus WYETH 2007-09-27 US disclosed
WO-2007092558-A2 SULFONAMIDE DERIVATIVES TO TREAT INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2007-08-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070225344-A1 Sulfonamide derivatives to treat infection with hepatitis C virus HCCS, HAVCR2, SULT2A1 ACLY 2581/4885CASP3 879/4885HCRTR1 107/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.