SCHEMBL3180002

SCHEMBL3180002

CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
SUMO3 P55854 1/20 0.47
SUMO2 P61956 1/20 0.47
SUMO1 P63165 1/20 0.47
ALDH1A1 P00352 5/20 0.47
NR3C1 P04150 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ADAMTS4 O75173 1/20 0.44
CNR1 P21554 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL3198394 0.87 CA1 (0.49) RAB9ASUMO3SUMO2SUMO1ALDH1A1
SCHEMBL3906410 0.85 RAB9A (0.46) RAB9ASUMO3SUMO2SUMO1ALDH1A1
SCHEMBL3177089 0.83 MMP2 (0.55) ALDH1A1CA1CA2CA7CA9
SCHEMBL3910630 0.82 PSEN1 (0.57) RAB9ASUMO3SUMO2SUMO1ALDH1A1
SCHEMBL3906784 0.82 PSEN1 (0.57) RAB9ASUMO3SUMO2SUMO1ALDH1A1
SCHEMBL3188196 0.81 RAB9A (0.50) RAB9ASUMO3SUMO2SUMO1ALDH1A1
SCHEMBL14132608 0.80 CA1 (0.53) ALDH1A1NR3C1CA1CA2CA7
SCHEMBL16000121 0.79 ALDH1A1 (0.69) RAB9ASUMO3SUMO2SUMO1ALDH1A1
SCHEMBL12169317 0.78 CA2 (0.71) ALDH1A1CA1CA2CA7CA9
SCHEMBL28577561 0.78 CA2 (0.71) ALDH1A1CA1CA2CA7CA9

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 RAB9A 238/4885SUMO3 2472/4885SUMO2 2676/4885
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 RAB9A 274/4885SUMO3 2963/4885SUMO2 2914/4885
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 RAB9A 559/4885SUMO3 3092/4885SUMO2 2649/4885

“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.