SCHEMBL25754081

SCHEMBL25754081

COC(=O)[C@@H](C)Cc1ccc(-c2cnn(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 3/20 0.48
CLK1 P49759 2/20 0.44
ACACB O00763 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
CCNC P24863 3/20 0.43
CDK8 P49336 3/20 0.43
GSK3B P49841 3/20 0.43
DYRK1A Q13627 3/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MAPK8 P45983 1/20 0.43
NAMPT P43490 1/20 0.43
MME P08473 2/20 0.42
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL3628791 0.86 MKNK1 (0.45) EP300CLK1ACACBHDAC8CCNC
SCHEMBL14713190 0.86 MKNK1 (0.45) EP300CLK1ACACBHDAC8CCNC
Hydrochloric Acid SCHEMBL540914 0.85 MKNK1 (0.44) EP300CLK1ACACBHDAC8CCNC
SCHEMBL12001659 0.79 ACACB (0.68) EP300ACACBCCNCCDK8
SCHEMBL24043580 0.78 ITGA4 (0.54) GSK3BDYRK1A
SCHEMBL25242176 0.78 MAPK8 (0.51) CLK1CCNCCDK8GSK3BDYRK1A
SCHEMBL6576829 0.77 ALDH1A1 (0.55) ACACBMME
SCHEMBL25243707 0.76 MKNK1 (0.43) EP300CLK1CCNCCDK8MKNK1
SCHEMBL13984679 0.76 MKNK1 (0.57) CLK1CCNCCDK8MKNK1MKNK2
SCHEMBL25356081 0.76 SLC7A5 (0.50) EP300HDAC8CCNCCDK8MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-06-27 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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, YES1, MYC EP300 1115/4885CLK1 2973/4885ACACB 4559/4885

“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.