Sugi Predict

Sugi Predict / Compounds / SCHEMBL12658142

SCHEMBL12658142

SCHEMBL12658142

COc1cc(Cl)cc(C)c1C1=C(O)C(C)(C)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 8/20 0.39
▸ ACACA Q13085 8/20 0.39
▸ GSK3B P49841 4/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.35
▸ CES1 P23141 1/20 0.34
▸ STK10 O94804 3/20 0.34
▸ SLK Q9H2G2 3/20 0.34
▸ GSK3A P49840 2/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CLK2 P49760 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
SCHEMBL1900642 0.84 GSK3B (0.39) ACACBACACAGSK3BCDK4CCND1
SCHEMBL10230210 0.83 SLK (0.36) ACACBACACAGSK3BCDK4CCNA2
SCHEMBL12658145 0.81 ACACB (0.47) ACACBACACAALDH1A1
SCHEMBL12858917 0.78 ACACB (0.49) ACACBACACAMAP3K14KDM4EALDH1A1
SCHEMBL12658143 0.78 MAP3K14 (0.37) ACACBACACAGSK3BCDK4CCNA2
SCHEMBL12022351 0.78 ACACB (0.57) ACACBACACAGSK3BCDK4CCNA2
SCHEMBL12658327 0.77 ERN1 (0.37) ACACBACACAGSK3BCDK4CCNA2
SCHEMBL13350208 0.76 GRIN2D (0.34) ACACBACACAALDH1A1HSD17B10
SCHEMBL12702996 0.76 ERN1 (0.36) ACACBACACAGSK3BCDK4CCNA2
SCHEMBL24071184 0.75 ACACB (0.43) ACACBACACAMAP3K14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606254-B1 2,4,6-PHENYL SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2011-05-11 — — EP disclosed
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols FISCHER REINER 2011-04-21 — — US disclosed
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols FISCHER REINER 2011-04-21 — — US disclosed
US-7888285-B2 2,4,6-phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-02-15 — — US disclosed
US-7888285-B2 2,4,6-phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2011-02-15 — — US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 — — US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 — — 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 (2 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-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 ACACB 1153/4885ACACA 1406/4885GSK3B 138/4885
US-20110092368-A1 2,4,6-Phenyl-substituted cyclic ketoenols CYP4X1, KDM4E, PDHX ACACB 967/4885ACACA 1219/4885GSK3B 201/4885

“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.