SCHEMBL4609813

SCHEMBL4609813

O=C(O)[C@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(Cl)c(Cl)c1O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ACLY P53396 1/20 0.49
HTT P42858 2/20 0.47
MMP8 P22894 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
PLAU P00749 3/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL4609818 1.00 ALDH1A1 (0.52) ALDH1A1ACLYHTTMMP8MMP12
SCHEMBL4610710 1.00 ALDH1A1 (0.52) ALDH1A1ACLYHTTMMP8MMP12
SCHEMBL4611521 0.96 MMP8 (0.51) ALDH1A1ACLYHTTMMP8MMP12
SCHEMBL4609713 0.96 MMP8 (0.51) ALDH1A1ACLYHTTMMP8MMP12
SCHEMBL4612655 0.85 ACLY (0.67) ALDH1A1ACLYHTTMMP8MMP12
SCHEMBL4610642 0.85 ACLY (0.67) ALDH1A1ACLYHTTMMP8MMP12
SCHEMBL4610646 0.85 ACLY (0.67) ALDH1A1ACLYHTTMMP8MMP12
SCHEMBL4611216 0.82 ACLY (0.53) ALDH1A1ACLYHTTMMP8MMP12
SCHEMBL4611218 0.82 ACLY (0.53) ALDH1A1ACLYHTTMMP8MMP12
SCHEMBL4611418 0.81 ACLY (0.62) 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 907/4885ACLY 2581/4885HTT 2850/4885

“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.