SCHEMBL4610455

SCHEMBL4610455

O=C(O)[C@H]1CCCN1S(=O)(=O)c1cc(Br)cc(Br)c1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
BRD4 O60885 1/20 0.39

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
SCHEMBL4611376 1.00 MMP8 (0.45) MMP8MMP12MMP13POLBKDM4E
SCHEMBL4609587 0.87 MMP8 (0.49) MMP8MMP12MMP13POLBHCRTR1
SCHEMBL4611514 0.87 MMP8 (0.49) MMP8MMP12MMP13POLBKDM4E
SCHEMBL5578554 0.87 MMP8 (0.49) MMP8MMP12MMP13POLBHCRTR1
SCHEMBL4611258 0.84 ACLY (0.53) MMP8MMP12MMP13POLBKDM4E
SCHEMBL4611256 0.84 ACLY (0.53) MMP8MMP12MMP13POLBKDM4E
SCHEMBL4612132 0.84 ACLY (0.53) MMP8MMP12MMP13POLBKDM4E
SCHEMBL4611811 0.80 AKR1C4 (0.35) ALDH1A1TSHR
SCHEMBL4629028 0.80 ALDH1A1 (0.48) MMP8ALDH1A1TSHR
SCHEMBL31717377 0.77 HTT (0.53) MMP8MMP12MMP13POLBKDM4E

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 7 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
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 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 (2 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
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP MMP8 927/4885MMP12 879/4885MMP13 1040/4885

“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.