SCHEMBL3187445

SCHEMBL3187445

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

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.54
▸ MMP1 P03956 1/20 0.54
▸ MMP3 P08254 1/20 0.54
▸ MMP7 P09237 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP13 P45452 1/20 0.54
▸ NOS3 P29474 1/20 0.54
▸ NOS1 P29475 1/20 0.54
▸ NOS2 P35228 1/20 0.54
▸ SLC1A3 P43003 1/20 0.50
▸ SLC1A2 P43004 1/20 0.50
▸ SLC1A1 P43005 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48

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
SCHEMBL2161289 0.86 MMP2 (0.68) MMP2MMP1MMP3MMP7MMP9
SCHEMBL2161290 0.86 MMP2 (0.68) MMP2MMP1MMP3MMP7MMP9
SCHEMBL27614261 0.86 MMP2 (0.68) MMP2MMP1MMP3MMP7MMP9
SCHEMBL13335276 0.86 SMN1; SMN2 (0.50) MMP2MMP1MMP3MMP7MMP9
SCHEMBL28849838 0.85 TDP1 (0.49) MMP2MMP1MMP3MMP7MMP9
SCHEMBL10076123 0.82 MMP2 (0.50) MMP2MMP1MMP3MMP7MMP9
SCHEMBL3065763 0.82 MMP2 (0.50) MMP2MMP1MMP3MMP7MMP9
SCHEMBL3904754 0.78 MMP2 (0.51) MMP2MMP1MMP3MMP7MMP9
SCHEMBL3907807 0.78 MMP2 (0.48) MMP2MMP1MMP3MMP7MMP9
SCHEMBL28745828 0.78 PSEN1 (0.45) MMP2MMP9NOS3NOS1NOS2

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-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 MMP2 2484/4885MMP1 2585/4885MMP3 2742/4885
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 MMP2 3545/4885MMP1 3438/4885MMP3 3330/4885
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 MMP2 2539/4885MMP1 1256/4885MMP3 2447/4885

“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.

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