SCHEMBL3186000

SCHEMBL3186000

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MMP2 P08253 5/20 0.42
▸ MMP1 P03956 2/20 0.42
▸ MMP3 P08254 2/20 0.42
▸ MMP7 P09237 2/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ MMP13 P45452 2/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ S1PR1 P21453 2/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ CA12 O43570 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 0.89 MMP2 (0.50) ALDH1A1MMP2MMP1MMP3MMP7
SCHEMBL3187282 0.88 MAPK1 (0.48) MAPK1ALDH1A1NPSR1MMP2MMP1
SCHEMBL3189812 0.83 MAPK1 (0.46) MAPK1ALDH1A1NPSR1MMP2MMP9
SCHEMBL3197521 0.82 CYP1A2 (0.49) MAPK1ALDH1A1NPSR1MMP2MMP1
SCHEMBL3197512 0.82 CYP1A2 (0.49) MAPK1ALDH1A1NPSR1MMP2MMP1
SCHEMBL1168349 0.81 PSEN1 (0.53) ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL1168902 0.77 ALDH1A1 (0.40) ALDH1A1LMNAMAPTSMN1; SMN2CYP3A4
SCHEMBL3203039 0.77 TP53 (0.43) ALDH1A1NPSR1MMP2MMP1MMP3
SCHEMBL3177089 0.76 MMP2 (0.55) ALDH1A1MMP2MMP1MMP3MMP7
SCHEMBL3179877 0.76 MMP2 (0.44) MAPK1MMP2MMP1MMP3MMP7

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 MAPK1 1114/4885ALDH1A1 1743/4885NPSR1 21/4885
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 MAPK1 1412/4885ALDH1A1 1013/4885NPSR1 51/4885
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 MAPK1 221/4885ALDH1A1 902/4885NPSR1 70/4885

“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.

Send feedback