SCHEMBL3192979

SCHEMBL3192979

C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.53
CYP2C19 P33261 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GMNN O75496 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
PMP22 Q01453 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MMP2 P08253 5/20 0.51
MMP1 P03956 2/20 0.51
MMP3 P08254 2/20 0.51

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
SCHEMBL1287451 1.00 CYP2D6 (0.53) CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL3192988 1.00 CYP2D6 (0.53) CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL6362675 0.89 ALDH1A1 (0.60) CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL14031959 0.89 ALDH1A1 (0.60) CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL14068912 0.87 ALDH1A1 (0.54) CYP2D6CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL3186139 0.85 MMP2 (0.54) CYP2D6CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL3186141 0.85 MMP2 (0.54) CYP2D6CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL1287373 0.81 ALDH1A1 (0.68) CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL1287280 0.81 ALDH1A1 (0.68) CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9
Acetic Acid SCHEMBL8970513 0.79 POLB (0.68) CYP2D6CYP2C19CYP1A2CYP3A4CYP2C9

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 CYP2D6 639/4885CYP2C19 791/4885CYP1A2 799/4885
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 CYP2D6 342/4885CYP2C19 711/4885CYP1A2 448/4885
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 CYP2D6 375/4885CYP2C19 1084/4885CYP1A2 644/4885

“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.