SCHEMBL3202961

SCHEMBL3202961

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
MMP2 P08253 7/20 0.44
CA2 P00918 5/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1A P35348 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL1716737 0.92 MMP2 (0.49) S1PR1MMP2CA2CA12CA9
SCHEMBL1716735 0.92 MMP2 (0.49) S1PR1MMP2CA2CA12CA9
SCHEMBL3186528 0.91 MMP2 (0.42) S1PR1MMP2CA2CA12CA9
SCHEMBL3178129 0.90 MMP2 (0.41) S1PR1MMP2CA2CA12CA9
SCHEMBL13750129 0.90 MMP2 (0.41) S1PR1MMP2CA2CA12CA9
SCHEMBL3186653 0.90 MMP2 (0.41) S1PR1MMP2CA2CA12CA9
SCHEMBL3197225 0.88 CA2 (0.44) S1PR1MMP2CA2CA12CA9
SCHEMBL3185902 0.87 S1PR1 (0.42) S1PR1MMP2CA2CA12CA9
SCHEMBL3193321 0.86 MMP2 (0.44) MMP2CA2CA12CA9CA14
SCHEMBL3179877 0.85 MMP2 (0.44) S1PR1MMP2CA2CA12CA9

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 8 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
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
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production WYETH (US) 2004-01-08 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 (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 S1PR1 201/4885MMP2 2484/4885CA2 3420/4885
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 S1PR1 354/4885MMP2 3545/4885CA2 3464/4885
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 S1PR1 358/4885MMP2 2539/4885CA2 2822/4885

“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.