SCHEMBL3185291

SCHEMBL3185291

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ BMP1 P13497 1/20 0.43
▸ MMP2 P08253 4/20 0.42
▸ MMP9 P14780 3/20 0.42
▸ MMP8 P22894 3/20 0.42
▸ MMP12 P39900 3/20 0.42
▸ MMP14 P50281 3/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TBXAS1 P24557 4/20 0.40
▸ LMNA P02545 2/20 0.40

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
SCHEMBL3185283 1.00 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL3197850 0.91 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL3197841 0.91 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL3189812 0.84 MAPK1 (0.46) CYP1A2CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL3188921 0.83 MMP2 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL3188199 0.82 LMNA (0.43) CYP1A2CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL3178129 0.81 MMP2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL3197512 0.81 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL3186653 0.81 MMP2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C9MAPK1
SCHEMBL3197521 0.81 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9MAPK1

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 CYP1A2 799/4885CYP3A4 1070/4885CYP2D6 639/4885
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 CYP1A2 448/4885CYP3A4 1245/4885CYP2D6 342/4885
US-20040006050-A1 Substituted phenylsulfonamide inhibitors of beta amyloid production APP, BACE1, PSEN1 CYP1A2 644/4885CYP3A4 973/4885CYP2D6 375/4885

“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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