SCHEMBL18756384

SCHEMBL18756384

CC(C)(C)OC(=O)N[C@H](CN)CCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CTSK P43235 11/20 0.34
ATM Q13315 1/20 0.34
CTSS P25774 4/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL15304807 0.87 CA1 (0.38) CA1CA2CA7CTSKATM
SCHEMBL29626311 0.87 CA1 (0.38) CA1CA2CA7CTSKATM
SCHEMBL15341683 0.87 CTSK (0.39) CA1CA2CA7CTSKATM
SCHEMBL15304870 0.86 CA1 (0.37) CA1CA2CA7CTSKATM
SCHEMBL3613415 0.86 CA1 (0.39) CA1CA2CA7CTSKATM
SCHEMBL3613413 0.86 CA1 (0.39) CA1CA2CA7CTSKATM
SCHEMBL15344686 0.81 CA1 (0.33) CA1CA2CA7CTSKATM
SCHEMBL22305937 0.81 CTSK (0.39) CA1CA2CA7CTSKCTSS
SCHEMBL29548094 0.80 CTSK (0.41) CA1CA2CA7CTSKATM
SCHEMBL26968991 0.80 CTSK (0.41) CA1CA2CA7CTSKATM

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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 CA1 4858/4885CA2 4408/4885CA7 2742/4885

“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.