SCHEMBL3177364

SCHEMBL3177364

CC(C)[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.52
MMP1 P03956 3/20 0.52
MMP9 P14780 3/20 0.52
MMP13 P45452 3/20 0.52
MMP3 P08254 2/20 0.52
MMP7 P09237 2/20 0.52
MMP8 P22894 3/20 0.51
MMP14 P50281 1/20 0.51
CA2 P00918 7/20 0.50
CA1 P00915 6/20 0.50
CA9 Q16790 4/20 0.50
CA7 P43166 2/20 0.50
CA12 O43570 3/20 0.49
CA14 Q9ULX7 3/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 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
SCHEMBL3177370 1.00 MMP2 (0.52) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3177089 0.91 MMP2 (0.55) MMP2MMP1MMP9MMP13MMP3
SCHEMBL1287944 0.86 MMP2 (0.54) MMP2MMP1MMP9MMP13MMP3
SCHEMBL1287919 0.86 MMP2 (0.54) MMP2MMP1MMP9MMP13MMP3
SCHEMBL1288009 0.86 MMP2 (0.54) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3198456 0.84 CA2 (0.56) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3177359 0.84 CA2 (0.56) MMP2MMP1MMP9MMP13MMP3
SCHEMBL13335267 0.84 CA2 (0.56) MMP2MMP1MMP9MMP13MMP3
SCHEMBL1716737 0.82 MMP2 (0.49) MMP2MMP1MMP9MMP13MMP3
SCHEMBL1716735 0.82 MMP2 (0.49) MMP2MMP1MMP9MMP13MMP3

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 8 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
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
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2004-01-08 US 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 2484/4885MMP1 2585/4885MMP9 2795/4885
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 3545/4885MMP1 3438/4885MMP9 2856/4885
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 MMP2 2539/4885MMP1 1256/4885MMP9 2402/4885

“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.