SCHEMBL13097113

SCHEMBL13097113

CC1(C2CC2)NC(=O)C(c2cc(-n3cc(Cl)cn3)ccc2Cl)=C1O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 3/20 0.35
ACACB O00763 7/20 0.32
ACACA Q13085 7/20 0.32
CYP46A1 Q9Y6A2 1/20 0.31
MTOR P42345 1/20 0.31
RPTOR Q8N122 1/20 0.31
MLST8 Q9BVC4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GSK3B P49841 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
SCHEMBL13097122 0.76 RIPK2 (0.32) RIPK2MTORRPTORMLST8GSK3B
SCHEMBL13097068 0.75 MAPT (0.32) RIPK2GSK3B
SCHEMBL14432174 0.75 ACACB (0.35) ACACBACACAL3MBTL1
SCHEMBL2969282 0.74 MTOR (0.34) MTORRPTORMLST8
SCHEMBL13097065 0.72 ACACB (0.48) RIPK2ACACBACACA
SCHEMBL2363264 0.68 ACACB (0.62) ACACBACACAL3MBTL1GSK3B
SCHEMBL13097121 0.67 GRM4 (0.35) RIPK2CYP46A1
SCHEMBL13097072 0.67 RIPK2 (0.33) RIPK2ACACBACACA
SCHEMBL13097093 0.66 EGLN1 (0.31) ACACBACACAL3MBTL1
SCHEMBL13097293 0.65 MEN1 (0.38) RIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS FISCHER REINER 2010-10-21 US disclosed
US-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS FISCHER REINER 2010-10-21 US disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 US disclosed
US-7776791-B2 N-heterocyclyl phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2010-08-17 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-20100267964-A1 N-HETEROCYCLYLPHENYL-SUBSTITUTED CYCLIC KETOENOLS CYP17A1, CCNY, CCNE2 RIPK2 3998/4885ACACB 474/4885ACACA 574/4885

“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.