SCHEMBL12324263

SCHEMBL12324263

C[C@H](CCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR88 Q9GZN0 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ CPB2 Q96IY4 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CTSK P43235 3/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SMYD2 Q9NRG4 1/20 0.32
▸ PPARA Q07869 1/20 0.32

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
SCHEMBL14481390 0.89 CYP3A4 (0.34) AAK1CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL12324243 0.82 CPB2 (0.39) GPR88AAK1CPB2L3MBTL1CTSK
SCHEMBL13568010 0.81 AAK1 (0.34) GPR88AAK1L3MBTL1CTSKCTSS
SCHEMBL5026306 0.80 CYSLTR2 (0.37) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL5026303 0.80 CYSLTR2 (0.37) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL23689304 0.78 TRPA1 (0.41) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL14481752 0.78 TRPA1 (0.41) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL27450106 0.78 TRPA1 (0.41) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL10233950 0.77 CYP3A4 (0.35) AAK1CPB2CYP3A4HTTSMN1; SMN2
SCHEMBL31491215 0.77 MMP13 (0.41) AAK1L3MBTL1CTSKCTSSCYP3A4

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-8946443-B2 Cyclopropanecarboxylic acid derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 — — US disclosed
US-20130012532-A1 CYCLOPROPANECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-10 — — US disclosed
WO-2011115065-A1 CYCLOPROPANECARBOXYLIC ACID DERIVATIVE 第一三共株式会社 (JP) 2011-09-22 — — 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-20130012532-A1 CYCLOPROPANECARBOXYLIC ACID DERIVATIVE TFPI, TFPI2, TAF11 GPR88 4264/4885AAK1 3789/4885CPB2 13/4885

“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.

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