SCHEMBL4629028

SCHEMBL4629028

O=C(O)[C@@H]1CSCN1S(=O)(=O)c1cc(Br)cc(Br)c1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MMP2 P08253 5/20 0.40
MMP9 P14780 5/20 0.40
MMP3 P08254 3/20 0.35
MMP1 P03956 2/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACLY P53396 3/20 0.31
CASP6 P55212 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31
MMP25 Q9NPA2 1/20 0.31

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
SCHEMBL4629891 0.88 ALDH1A1 (0.47) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4629590 0.88 ALDH1A1 (0.47) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4610455 0.80 MMP8 (0.45) ALDH1A1TSHRMMP8
SCHEMBL4611376 0.80 MMP8 (0.45) ALDH1A1TSHRMMP8
SCHEMBL4629060 0.78 ALDH1A1 (0.48) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4611811 0.78 AKR1C4 (0.35) ALDH1A1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL4629244 0.78 ALDH1A1 (0.48) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4629893 0.78 ACLY (0.48) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4629026 0.78 ACLY (0.48) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4627858 0.76 ALDH1A1 (0.47) ALDH1A1MMP2MMP9MMP3MMP1

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 ALDH1A1 907/4885MMP2 4104/4885MMP9 4658/4885

“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.