SCHEMBL6893523

SCHEMBL6893523

CC(C)CCS(=O)(=O)CCCO

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
CA2 P00918 1/20 0.31
GBA1 P04062 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL6893526 0.86 CA1 (0.32) CA1
SCHEMBL3167161 0.83 GAA (0.34) CA1
Phosphoric Acid SCHEMBL11090401 0.80 LMNA (0.41)
SCHEMBL3168818 0.80 CA2 (0.39) ATRCA2
SCHEMBL4613454 0.80 CA2 (0.39) ATRCA2
SCHEMBL14814609 0.79 ATR (0.37) ATRCA2
SCHEMBL6890549 0.79 CA2 (0.40) CA2
SCHEMBL17369606 0.78 LMNA (0.41) CA2CA1
SCHEMBL13330433 0.77 APP (0.41) CA2
SCHEMBL8967538 0.77

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-8664411-B2 Tetrahydropyranochromene gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-03-04 US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 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-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 ATR 3193/4885CA2 3574/4885GBA1 402/4885

“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.