SCHEMBL758098

SCHEMBL758098

CC(C)S(=O)(=O)c1ccc(-c2ccccc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 1/20 0.48
PTGS2 P35354 5/20 0.44
PTGS1 P23219 2/20 0.41
ADAMTS4 O75173 1/20 0.41
ATR Q13535 6/20 0.41
PRKDC P78527 3/20 0.41
ATM Q13315 2/20 0.41
GSK3B P49841 1/20 0.41
DHODH Q02127 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL29222808 0.83 CA1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL399643 0.80 PTGS2 (0.69) ALDH1A1HSD17B10PTGS2PTGS1
SCHEMBL1271133 0.80 ALDH1A1 (0.58) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL9311376 0.79 PTGS2 (0.67) ALDH1A1HSD17B10PTGS2PTGS1
SCHEMBL4861820 0.78 CA2 (0.65) CA12CA1CA2CA9ALDH1A1
SCHEMBL29964465 0.78 MKNK1 (0.51) CA12CA1CA2CA9PTGS2
SCHEMBL14519925 0.77 CA12 (0.54) CA12CA1CA2CA9PTGS2
SCHEMBL10060466 0.77 CA12 (0.46) CA12CA1CA2CA9ADAMTS4
SCHEMBL10826584 0.77 ALDH1A1 (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL6794414 0.76 LTB4R2 (0.48) ALDH1A1PTGS2ADAMTS4ATRPRKDC

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
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
WO-2007011833-A2 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2007-01-25 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 (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 CA12 3731/4885CA1 1042/4885CA2 1920/4885

“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.