SCHEMBL16166641

SCHEMBL16166641

CN1C=C(NC(=O)OC(C)(C)C)C(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LIPE Q05469 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
PRKDC P78527 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 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
SCHEMBL1656241 0.66 NFKB1 (0.41) DRD2NFKB1NFKB2RELA
SCHEMBL10512058 0.66 NFKB1 (0.35) DRD2NFKB1NFKB2RELALIPE
SCHEMBL31363878 0.65 DRD2 (0.36) DRD2NFKB1NFKB2RELALIPE
SCHEMBL573575 0.63 NFKB1 (0.39) NFKB1NFKB2RELA
SCHEMBL1829582 0.63 CYP17A1 (0.39) DRD2NFKB1NFKB2RELA
SCHEMBL30817405 0.63 MAPT (0.50) DRD2NFKB1NFKB2RELALIPE
SCHEMBL30889135 0.63 GAA (0.48) DRD2NFKB1NFKB2RELA
SCHEMBL21214308 0.63 DRD2 (0.55) DRD2L3MBTL1SIGMAR1CD274
SCHEMBL21395197 0.63 RAB9A (0.36) DRD2NFKB1NFKB2RELAL3MBTL1
SCHEMBL27673939 0.63 PSMB8 (0.38) NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067162-A1 PHOTOPROTECTIVE COMPOUNDS, COMPOSITIONS INCLUDING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-03-10 US claimed
US-20160067162-A1 PHOTOPROTECTIVE COMPOUNDS, COMPOSITIONS INCLUDING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-03-10 US disclosed
US-20160067162-A1 PHOTOPROTECTIVE COMPOUNDS, COMPOSITIONS INCLUDING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-03-10 US disclosed
EP-2984071-A1 PHOTOPROTECTIVE COMPOUNDS, COMPOSITIONS INCLUDING SAME AND USES THEREOF Université de Rennes I (FR) 2016-02-17 EP disclosed
WO-2014167225-A1 PHOTOPROTECTIVE COMPOUNDS, COMPOSITIONS INCLUDING SAME AND USES THEREOF UNIVERSITE DE RENNES 1 (FR) 2014-10-16 WO disclosed
WO-2014167225-A1 PHOTOPROTECTIVE COMPOUNDS, COMPOSITIONS INCLUDING SAME AND USES THEREOF UNIVERSITE DE RENNES 1 (FR) 2014-10-16 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-20160067162-A1 PHOTOPROTECTIVE COMPOUNDS, COMPOSITIONS INCLUDING SAME AND USES THEREOF CBR3, CBR1, C9 DRD2 510/4885NFKB1 1146/4885NFKB2 1174/4885

“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.