SCHEMBL4629244

SCHEMBL4629244

O=C(O)[C@@H]1CSCN1S(=O)(=O)c1cc(Cl)c(Cl)c(Cl)c1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
MMP3 P08254 2/20 0.38
MMP1 P03956 1/20 0.38
ACLY P53396 5/20 0.34
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PKLR P30613 1/20 0.30

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
SCHEMBL4629060 1.00 ALDH1A1 (0.48) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4629026 0.85 ACLY (0.48) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4629893 0.85 ACLY (0.48) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4629234 0.83 ALDH1A1 (0.47) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4627858 0.83 ALDH1A1 (0.47) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4629590 0.81 ALDH1A1 (0.47) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4629891 0.81 ALDH1A1 (0.47) ALDH1A1MMP2MMP9MMP3MMP1
SCHEMBL4609713 0.80 MMP8 (0.51) ALDH1A1ACLYMMP8MMP12MMP13
SCHEMBL4611521 0.80 MMP8 (0.51) ALDH1A1ACLYMMP8MMP12MMP13
SCHEMBL4609813 0.79 ALDH1A1 (0.52) ALDH1A1ACLYMMP8MMP12MMP13

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.