SCHEMBL3904762

SCHEMBL3904762

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.50
▸ MMP1 P03956 2/20 0.50
▸ MMP3 P08254 2/20 0.50
▸ MMP7 P09237 2/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ MMP13 P45452 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SLC1A3 P43003 1/20 0.46
▸ SLC1A2 P43004 1/20 0.46
▸ SLC1A1 P43005 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3906115 1.00 MMP2 (0.50) MMP2MMP1MMP3MMP7MMP9
SCHEMBL1874260 0.78 LMNA (0.47) MMP2NPSR1LMNAL3MBTL1CA1
SCHEMBL3904754 0.77 MMP2 (0.51) MMP2MMP1MMP3MMP7MMP9
SCHEMBL3904712 0.76 CA2 (0.48) MMP2MMP1MMP3MMP7MMP9
SCHEMBL13698393 0.76 CA2 (0.48) MMP2MMP1MMP3MMP7MMP9
SCHEMBL6801083 0.76 MMP2 (0.63) MMP2MMP1MMP3MMP7MMP9
SCHEMBL6800548 0.76 MMP2 (0.63) MMP2MMP1MMP3MMP7MMP9
SCHEMBL3904632 0.76 CA2 (0.48) MMP2MMP1MMP3MMP7MMP9
SCHEMBL3908602 0.74 THRB (0.41) MMP7MMP13LMNASLC1A3SLC1A2
SCHEMBL3187445 0.74 MMP2 (0.54) MMP2MMP1MMP3MMP7MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221711-A1 TRIFLUOROMETHYL-CONTAINING PHENYLSULFONAMIDE BETA AMYLOID INHIBITORS WYETH (US) 2009-09-03 — — US disclosed
US-7550629-B2 4-chloro-N-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]benzenesulfonamide; 4-cyano-N-(3,3,3-trifluoro-1-hydroxymethyl-2-trifluoromethyl-propyl)-benzenesulfonamide; Alzheimer's Disease, amyloid angiopathy, systemic amyloidosis, mild cognitive impairment and Down's syndrome WYETH (US) 2009-06-23 — — US disclosed
US-20070249722-A1 Trifluoromethyl-containing phenylsulfonamide beta amyloid inhibitors WYETH (US) 2007-10-25 — — 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 (2 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-20090221711-A1 TRIFLUOROMETHYL-CONTAINING PHENYLSULFONAMIDE BETA AMYLOID INHIBITORS APP, PSEN1, BACE1 MMP2 1636/4885MMP1 298/4885MMP3 1594/4885
US-20070249722-A1 Trifluoromethyl-containing phenylsulfonamide beta amyloid inhibitors APP, PSEN1, BACE1 MMP2 1636/4885MMP1 298/4885MMP3 1594/4885

“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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