SCHEMBL1248064

SCHEMBL1248064

O=S(=O)(c1ccc(Cl)cc1)[C@]1(c2cc(F)ccc2F)C[C@H](O)C1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.77
PSEN2 P49810 20/20 0.77
APH1B Q8WW43 20/20 0.77
NCSTN Q92542 20/20 0.77
APH1A Q96BI3 20/20 0.77
PSENEN Q9NZ42 20/20 0.77

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
SCHEMBL1061167 1.00 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1061168 1.00 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13676470 0.90 PSEN1 (0.86) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13676490 0.88 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13676484 0.88 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8257620 0.87 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2766736 0.87 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8259743 0.87 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13676504 0.87 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16475743 0.87 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759579-B2 Cyclobutyl sulfones as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8759579-B2 Cyclobutyl sulfones as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8759579-B2 Cyclobutyl sulfones as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
EP-2273877-B1 CYCLOBUTYL SULFONES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME (US) 2014-04-16 EP disclosed
US-20110263580-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110263580-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110263580-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
EP-2375895-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS Merck Sharp & Dohme Corp. (US) 2011-10-19 EP disclosed
US-20110039925-A1 CYCLOBUTYL SULFONES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-17 US disclosed
US-20110039925-A1 CYCLOBUTYL SULFONES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-17 US disclosed
US-20110039925-A1 CYCLOBUTYL SULFONES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-17 US disclosed
WO-2010068564-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. (US) 2010-06-17 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 (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-20110039925-A1 CYCLOBUTYL SULFONES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP PSEN1 10/4885PSEN2 13/4885APH1B 9/4885
US-20110263580-A1 METHOD FOR TREATING ALZHEIMER'S DISEASE AND RELATED CONDITIONS BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 7/4885

“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.