SCHEMBL3188111

SCHEMBL3188111

C[C@@H](c1ccco1)[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ MMP2 P08253 11/20 0.44
▸ MMP1 P03956 8/20 0.44
▸ MMP9 P14780 8/20 0.44
▸ MMP13 P45452 8/20 0.44
▸ MMP3 P08254 7/20 0.44
▸ MMP7 P09237 7/20 0.44
▸ MMP14 P50281 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 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
SCHEMBL3190384 0.86 MMP2 (0.50) TP53MMP2MMP1MMP9MMP13
SCHEMBL3203039 0.85 TP53 (0.43) TP53MMP2MMP1MMP9MMP13
SCHEMBL3189780 0.82 MMP2 (0.51) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3189770 0.82 MMP2 (0.51) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3178145 0.82 MMP2 (0.51) MMP2MMP1MMP9MMP13MMP3
SCHEMBL1168408 0.80 ALDH1A1 (0.42) TP53ALDH1A1CYP2C19GAASMN1; SMN2
SCHEMBL3185795 0.80 MMP2 (0.55) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3197615 0.76 MMP2 (0.48) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3189200 0.76 CA1 (0.56) MMP2MMP1MMP9MMP13MMP3
SCHEMBL13335258 0.76 CA1 (0.56) 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 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 TP53 344/4885MMP2 2484/4885MMP1 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 TP53 454/4885MMP2 3545/4885MMP1 3438/4885
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 TP53 511/4885MMP2 2539/4885MMP1 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.

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