SCHEMBL3199870

SCHEMBL3199870

CC[C@H](C)[C@@H](CO)N(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.46
CA2 P00918 8/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
PSEN1 P49768 5/20 0.41
PSEN2 P49810 5/20 0.41
APH1B Q8WW43 5/20 0.41
NCSTN Q92542 5/20 0.41
APH1A Q96BI3 5/20 0.41
PSENEN Q9NZ42 5/20 0.41
APP P05067 1/20 0.41
CA1 P00915 6/20 0.40
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
DRD2 P14416 2/20 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
SCHEMBL3198148 0.85 PSEN1 (0.45) MMP9CA2MMP1MMP2PSEN1
SCHEMBL3179699 0.75 PSEN1 (0.45) MMP9CA2MMP1MMP2MMP13
SCHEMBL3199398 0.73 PSEN1 (0.59) CA2PSEN1PSEN2APH1BNCSTN
SCHEMBL3185840 0.72 PSEN1 (0.45) CA2PSEN1PSEN2APH1BNCSTN
SCHEMBL13361985 0.70 CA12 (0.50) CA2PSEN1PSEN2APH1BNCSTN
SCHEMBL3186389 0.70 CA12 (0.50) CA2PSEN1PSEN2APH1BNCSTN
SCHEMBL3188980 0.69 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10128790 0.69 CA1 (0.44) MMP9CA2MMP1MMP2MMP7
SCHEMBL6394379 0.68 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3177085 0.68 PSEN1 (0.55) MMP9MMP2MMP13PSEN1PSEN2

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 5 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-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

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 MMP9 2795/4885CA2 3420/4885MMP1 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 MMP9 2856/4885CA2 3464/4885MMP1 3438/4885

“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.