SCHEMBL4748246

SCHEMBL4748246

COC(=O)/C=C/[C@H](C)CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
BACE1 P56817 1/20 0.31
BTN3A1 O00481 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
SCHEMBL4748143 1.00 HCAR2 (0.36) HCAR2KEAP1NFE2L2BACE1BTN3A1
SCHEMBL1877801 0.79 ALDH1A1 (0.33) HCAR2KEAP1NFE2L2
SCHEMBL15791063 0.76 HCAR2 (0.40) HCAR2KEAP1NFE2L2
SCHEMBL17048413 0.74 HCAR2 (0.36) HCAR2KEAP1NFE2L2
SCHEMBL20981993 0.74 HCAR2 (0.36) HCAR2KEAP1NFE2L2
SCHEMBL17048269 0.74 HCAR2 (0.36) HCAR2KEAP1NFE2L2
SCHEMBL17048371 0.74 HCAR2 (0.36) HCAR2KEAP1NFE2L2
SCHEMBL8917913 0.74 CTSL (0.40) BACE1BTN3A1
SCHEMBL8917915 0.74 CTSL (0.40) BACE1BTN3A1
SCHEMBL12147875 0.73 HCAR2 (0.41) HCAR2KEAP1NFE2L2BACE1BTN3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 US disclosed
EP-2097400-B1 FUSED SUBSTITUTED AMINOPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-07-03 EP disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 HCAR2 2296/4885KEAP1 867/4885NFE2L2 1974/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 HCAR2 2296/4885KEAP1 867/4885NFE2L2 1974/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 HCAR2 2296/4885KEAP1 867/4885NFE2L2 1974/4885

“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.