SCHEMBL4628846

SCHEMBL4628846

CC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACLY P53396 12/20 0.58
HCRTR1 O43613 4/20 0.45
HCRTR2 O43614 4/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HSD11B1 P28845 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL4611418 0.88 ACLY (0.62) ACLYCA1CA2
SCHEMBL4610371 0.88 ACLY (0.62) ACLYCA1CA2
SCHEMBL5578249 0.86 ACLY (0.55) ACLYHCRTR1HCRTR2CA1CA2
SCHEMBL4609883 0.86 ACLY (0.55) ACLYHCRTR1HCRTR2HSD11B1
SCHEMBL4612655 0.85 ACLY (0.67) ACLYCA1CA2
SCHEMBL4610646 0.85 ACLY (0.67) ACLYCA1CA2
SCHEMBL4610642 0.85 ACLY (0.67) ACLYCA1CA2
SCHEMBL4792474 0.83 ACLY (0.54) ACLYCA1CA2
SCHEMBL5578290 0.82 ACLY (0.64) ACLY
SCHEMBL4611821 0.80 ACLY (0.58) 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
US-20070225344-A1 Sulfonamide derivatives to treat infection with hepatitis C virus WYETH 2007-09-27 US claimed
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 2581/4885HCRTR1 107/4885HCRTR2 282/4885

“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.