SCHEMBL3185482

SCHEMBL3185482

CCCCC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.47
MMP9 P14780 8/20 0.47
MMP1 P03956 7/20 0.45
MMP3 P08254 7/20 0.45
MMP7 P09237 7/20 0.45
MMP13 P45452 7/20 0.45
ALDH1A1 P00352 2/20 0.44
MMP14 P50281 1/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 1/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL3186210 0.99 MMP2 (0.47) MMP2MMP9MMP1MMP3MMP7
SCHEMBL3197615 0.91 MMP2 (0.48) MMP2MMP9MMP1MMP3MMP7
SCHEMBL3179868 0.87 MMP2 (0.43) MMP2MMP9MMP1MMP3MMP7
SCHEMBL3188199 0.86 LMNA (0.43) MMP2MMP9MMP1MMP3MMP7
SCHEMBL3188168 0.86 MMP2 (0.47) MMP2MMP9MMP1MMP3MMP7
SCHEMBL3189200 0.85 CA1 (0.56) MMP2MMP9MMP1MMP3MMP7
SCHEMBL3187905 0.85 CA1 (0.56) MMP2MMP9MMP1MMP3MMP7
SCHEMBL3185242 0.85 CA1 (0.56) MMP2MMP9MMP1MMP3MMP7
SCHEMBL13335258 0.85 CA1 (0.56) MMP2MMP9MMP1MMP3MMP7
SCHEMBL3194976 0.85 MMP2 (0.46) MMP2MMP9MMP1MMP3MMP7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037778-A1 Therapy and prophylaxis of Alzheimer's Disease and Down's syndrome; inhibiting beta amyloid production; 2,4-difluoro-N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide WYETH (US) 2007-02-15 US claimed
US-7166622-B2 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2007-01-23 US claimed
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2004-01-08 US claimed
US-20100120725-A1 Substituted Phenylsulfonamide Inhibitors of Beta Amyloid Production WYETH LLC (US) 2010-05-13 US disclosed
US-7671075-B2 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2010-03-02 US disclosed
EP-1549306-A4 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH CORP (US) 2007-06-06 EP disclosed
US-20070037778-A1 Therapy and prophylaxis of Alzheimer's Disease and Down's syndrome; inhibiting beta amyloid production; 2,4-difluoro-N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide WYETH (US) 2007-02-15 US disclosed
US-7166622-B2 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2007-01-23 US disclosed
EP-1549306-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2005-07-06 EP disclosed
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2004-01-08 US disclosed
WO-2003103660-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION WYETH (US) 2003-12-18 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 (3 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-20100120725-A1 Substituted Phenylsulfonamide Inhibitors of Beta Amyloid Production APP, BACE1, PSEN1 MMP2 2484/4885MMP9 2795/4885MMP1 2585/4885
US-20070037778-A1 Therapy and prophylaxis of Alzheimer's Disease and Down's syndrome; inhibiting beta amyloid production; 2,4-difluoro-N-[(1S,2S)-1-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide BACE1, APP, PSEN1 MMP2 3545/4885MMP9 2856/4885MMP1 3438/4885
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 MMP2 2539/4885MMP9 2402/4885MMP1 1256/4885

“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.