SCHEMBL3189922

SCHEMBL3189922

COc1ccc([C@@H](C)[C@@H](CO)NS(=O)(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.51
▸ ERBB2 P04626 1/20 0.51
▸ IDO1 P14902 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MMP2 P08253 8/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ CA14 Q9ULX7 2/20 0.48
▸ POLB P06746 2/20 0.47
▸ MMP9 P14780 6/20 0.46
▸ MMP8 P22894 6/20 0.46
▸ MMP13 P45452 5/20 0.46
▸ MMP1 P03956 3/20 0.46
▸ MMP3 P08254 2/20 0.46
▸ MMP7 P09237 2/20 0.46
▸ MMP14 P50281 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3189934 1.00 EGFR (0.51) EGFRERBB2IDO1ALDH1A1KDM4E
SCHEMBL3185012 0.89 EGFR (0.50) EGFRERBB2ALDH1A1MMP2CA12
SCHEMBL3185018 0.89 EGFR (0.50) EGFRERBB2ALDH1A1MMP2CA12
SCHEMBL3179711 0.87 EGFR (0.48) EGFRERBB2IDO1ALDH1A1KDM4E
SCHEMBL3179720 0.87 EGFR (0.48) EGFRERBB2IDO1ALDH1A1KDM4E
SCHEMBL3178145 0.84 MMP2 (0.51) ALDH1A1MMP2CA12CA9CA14
SCHEMBL3189770 0.84 MMP2 (0.51) ALDH1A1MMP2CA12CA9CA14
SCHEMBL3189780 0.84 MMP2 (0.51) ALDH1A1MMP2CA12CA9CA14
SCHEMBL29259799 0.81 CNR1 (0.60) EGFRERBB2IDO1ALDH1A1MMP2
SCHEMBL3185795 0.80 MMP2 (0.55) ALDH1A1MMP2CA12CA9CA14

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 EGFR 4409/4885ERBB2 4653/4885IDO1 4142/4885
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 EGFR 4154/4885ERBB2 3754/4885IDO1 3499/4885
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 EGFR 4723/4885ERBB2 4712/4885IDO1 2890/4885

“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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