SCHEMBL15437899

SCHEMBL15437899

CCOC(=O)CC(C#N)(C[Si](C)(C)C)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.32
MAPT P10636 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
SCHEMBL14016347 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRMGAM
SCHEMBL15451360 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRMGAM
SCHEMBL2638021 0.78 MMP8 (0.43) MEN1KMT2AALDH1A1TSHRMGAM
SCHEMBL28512089 0.77 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRMGAM
SCHEMBL4382740 0.76 MEN1 (0.37) MEN1KMT2AALDH1A1TSHRMGAM
SCHEMBL28464690 0.76 MEN1 (0.41) MEN1KMT2AALDH1A1TSHRMGAM
SCHEMBL1963 0.74 ALDH1A1 (0.50) MEN1KMT2AALDH1A1TSHRMGAM
SCHEMBL4377134 0.74 MMP8 (0.36) MEN1KMT2AALDH1A1TSHRMGAM
SCHEMBL4380430 0.74 MEN1 (0.36) MEN1KMT2AALDH1A1TSHRMGAM
SCHEMBL15437624 0.73 MEN1 (0.35) MEN1KMT2AALDH1A1TSHRMGAM

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-8895769-B2 Silicon-containing carboxylic acid derivative KEMPHYS LTD. (JP) 2014-11-25 US disclosed
EP-2700645-A1 SILICON-CONTAINING CARBOXYLIC ACID DERIVATIVE Research Foundation Itsuu Laboratory (JP) 2014-02-26 EP disclosed
US-20140031575-A1 SILICON-CONTAINING CARBOXYLIC ACID DERIVATIVE KEMPHYS LTD. (JP) 2014-01-30 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-20140031575-A1 SILICON-CONTAINING CARBOXYLIC ACID DERIVATIVE CA6, CCR6, CXCR6 MEN1 1280/4885KMT2A 861/4885ALDH1A1 3611/4885

“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.