SCHEMBL4611229

SCHEMBL4611229

O=C(O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.56
MMP12 P39900 1/20 0.56
MMP13 P45452 1/20 0.56
CNR1 P21554 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ITGB1 P05556 7/20 0.50
ITGA4 P13612 7/20 0.50
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.47
PLAU P00749 2/20 0.47
ITGB7 P26010 1/20 0.46

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
SCHEMBL3904073 0.84 ITGB1 (0.67) MMP8MMP12MMP13ALDH1A1ITGB1
SCHEMBL3904078 0.84 ITGB1 (0.67) MMP8MMP12MMP13ALDH1A1ITGB1
SCHEMBL4610371 0.83 ACLY (0.62) MMP8MMP12MMP13ALDH1A1ITGB1
SCHEMBL4611418 0.83 ACLY (0.62) MMP8MMP12MMP13ALDH1A1ITGB1
SCHEMBL4612655 0.80 ACLY (0.67) MMP8MMP12MMP13ALDH1A1ITGB1
SCHEMBL4610646 0.80 ACLY (0.67) MMP8MMP12MMP13ALDH1A1ITGB1
SCHEMBL4610642 0.80 ACLY (0.67) MMP8MMP12MMP13ALDH1A1ITGB1
SCHEMBL4612455 0.79 MMP8 (0.56) MMP8MMP12MMP13CNR1ALDH1A1
SCHEMBL2988722 0.79 ITGB1 (0.66) MMP8MMP12MMP13ALDH1A1ITGB1
SCHEMBL2988718 0.79 ITGB1 (0.66) MMP8MMP12MMP13ALDH1A1ITGB1

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 MMP8 3676/4885MMP12 2873/4885MMP13 3847/4885

“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.