SCHEMBL3178161

SCHEMBL3178161

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.46
MMP1 P03956 7/20 0.46
MMP9 P14780 7/20 0.46
MMP13 P45452 7/20 0.46
MMP3 P08254 6/20 0.46
MMP7 P09237 6/20 0.46
MMP14 P50281 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
MMP8 P22894 1/20 0.40
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
ADAM17 P78536 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
SCHEMBL3189278 0.90 MMP2 (0.47) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3189119 0.87 S1PR1 (0.44) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3193257 0.87 MMP1 (0.43) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3178039 0.85 MMP2 (0.49) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3188309 0.85 MMP2 (0.43) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3187349 0.84 MMP2 (0.42) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3199556 0.84 MMP2 (0.43) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3200942 0.82 MMP2 (0.41) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3185217 0.81 MMP2 (0.44) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3198074 0.80 MMP2 (0.46) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120725-A1 Substituted Phenylsulfonamide Inhibitors of Beta Amyloid Production WYETH LLC (US) 2010-05-13 US claimed
US-7671075-B2 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2010-03-02 US claimed
US-7166622-B2 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2007-01-23 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
EP-1549306-A1 SUBSTITUTED PHENYLSULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION Wyeth (US) 2005-07-06 EP 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 (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-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

“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.