SCHEMBL12429348

SCHEMBL12429348

COC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.42
ANPEP P15144 3/20 0.42
TP53 P04637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP19A1 P11511 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL30591269 0.82 SMN1; SMN2 (0.36) MMP2ANPEPSMN1; SMN2
SCHEMBL3429014 0.82 SMN1; SMN2 (0.36) MMP2ANPEPSMN1; SMN2
SCHEMBL4146529 0.81 MMP2 (0.35) MMP2ANPEPSMN1; SMN2ALDH1A1
SCHEMBL19964285 0.81 MMP2 (0.35) MMP2ANPEPSMN1; SMN2ALDH1A1
SCHEMBL13435552 0.81 MMP2 (0.35) MMP2ANPEPSMN1; SMN2ALDH1A1
SCHEMBL14013930 0.81 ALDH1A1 (0.54) MMP2ANPEPCYP19A1ALDH1A1KMT2A
SCHEMBL2197971 0.80 TRPA1 (0.41) MMP2ANPEPALDH1A1KMT2A
SCHEMBL2197974 0.80 TRPA1 (0.41) MMP2ANPEPALDH1A1KMT2A
SCHEMBL4139942 0.78 MMP2 (0.52) MMP2ANPEPALDH1A1
SCHEMBL15130169 0.78 MMP2 (0.39) MMP2ANPEPSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977368-B2 Pyrazolopyrrolidines as inhibitors of gamma secretase ELAN PHARMACEUTICALS, INC. (US) 2011-07-12 US disclosed
US-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase ELAN PHARMACEUTICALS, INC. 2009-04-16 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-20090099235-A1 Pyrazolopyrrolidines as Inhibitors of Gamma Secretase BACE1, BACE2, APP MMP2 2946/4885ANPEP 878/4885TP53 1186/4885

“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.