SCHEMBL4612664

SCHEMBL4612664

O=S(=O)(c1cc(Cl)cc(Cl)c1O)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 11/20 0.62
ALDH1A1 P00352 2/20 0.60
TSHR P16473 3/20 0.58
ALOX15 P16050 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
COMT P21964 1/20 0.51
HTT P42858 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL12626450 0.87 ACLY (0.59) ACLYALDH1A1TSHRALOX15L3MBTL1
SCHEMBL13205645 0.87 ALDH1A1 (0.57) ACLYALDH1A1TSHRALOX15L3MBTL1
SCHEMBL10068284 0.85 ACLY (0.62) ACLYL3MBTL1CA1CA2POLB
SCHEMBL4611818 0.82 ACLY (0.54) ACLYALDH1A1TSHRCA1CA2
SCHEMBL10037141 0.82 ACLY (0.58) ACLYALDH1A1CA1CA2
SCHEMBL4610558 0.81 ACLY (0.53) ACLYCA1CA2
SCHEMBL5321593 0.78 ALDH1A1 (0.73) ALDH1A1TSHRALOX15L3MBTL1KDM4E
SCHEMBL22004191 0.77 ACLY (1.00) ACLYALDH1A1TSHRCA1CA2
SCHEMBL4612655 0.77 ACLY (0.67) ACLYALDH1A1CA1CA2HTT
SCHEMBL4610646 0.77 ACLY (0.67) ACLYALDH1A1CA1CA2HTT

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 6 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
US-20070225344-A1 Sulfonamide derivatives to treat infection with hepatitis C virus WYETH 2007-09-27 US 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
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 2581/4885ALDH1A1 907/4885TSHR 670/4885

“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.