SCHEMBL760022

SCHEMBL760022

Cc1ccc(S(=O)(=O)N2C3C[Si](C)(C)CC32)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
PKM P14618 3/20 0.47
HTT P42858 2/20 0.46
MMP2 P08253 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL537069 0.80 ACHE (0.69) ACHEPKMHTTMMP2ALDH1A1
SCHEMBL2690876 0.80 ACHE (0.74) ACHEPKMHTTMMP2ALDH1A1
SCHEMBL2600494 0.79 ACHE (0.67) ACHEPKMHTTMMP2ALDH1A1
SCHEMBL27201781 0.77 ACHE (0.56) ACHEPKMHTTMMP2ALDH1A1
SCHEMBL13830631 0.76 ACHE (0.58) ACHEPKMHTTMMP2ALDH1A1
SCHEMBL13812162 0.76 ACHE (0.68) ACHEPKMHTTMMP2ALDH1A1
SCHEMBL14538647 0.73 ACHE (0.86) ACHEPKMHTTMMP2ALDH1A1
SCHEMBL12169285 0.73 ACHE (0.86) ACHEPKMHTTMMP2ALDH1A1
SCHEMBL21913505 0.72 ACHE (0.54) ACHEPKMHTTMMP2ALDH1A1
SCHEMBL3426300 0.71 ACHE (0.57) ACHEPKMHTTMMP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
EP-1910364-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Merck & Co., Inc. (US) 2008-04-16 EP disclosed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 WO disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 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 (1 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-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 ACHE 76/4885PKM 1931/4885HTT 356/4885

“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.