SCHEMBL24075804

SCHEMBL24075804

COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4-c4ccc(C(=O)NCCOCCOCCNC(=O)C[C@@H]5N=C(c6ccc(Cl)cc6)c6c(sc(C)c6C)-n6c(C)nnc65)cc4)C[C@H]3O[C@@H]2[C@@H]2OC(=O)[C@]3(C)C=CC(=O)[C@@]1(C)[C@@H]23

nearest known ligand 0.93

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 13/20 0.93
RNF114 Q9Y508 3/20 0.80
BRD2 P25440 6/20 0.50
BRD3 Q15059 4/20 0.50
ADORA3 P0DMS8 1/20 0.45
TSPO P30536 1/20 0.45
NAMPT P43490 2/20 0.45
DDB1 Q16531 3/20 0.44
CRBN Q96SW2 3/20 0.44
EZH2 Q15910 1/20 0.44

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
SCHEMBL24076626 1.00 BRD4 (0.93) BRD4RNF114BRD2BRD3ADORA3
SCHEMBL24076607 1.00 BRD4 (0.93) BRD4RNF114BRD2BRD3ADORA3
SCHEMBL24075812 1.00 BRD4 (0.93) BRD4RNF114BRD2BRD3ADORA3
SCHEMBL24076524 1.00 BRD4 (0.93) BRD4RNF114BRD2BRD3ADORA3
SCHEMBL24075813 0.96 BRD4 (1.00) BRD4RNF114BRD2BRD3ADORA3
SCHEMBL24076459 0.96 BRD4 (1.00) BRD4RNF114BRD2BRD3ADORA3
SCHEMBL24076600 0.77 RNF114 (0.65) BRD4RNF114
SCHEMBL24076534 0.77 RNF114 (0.65) BRD4RNF114
SCHEMBL24076525 0.77 BRD4 (0.73) BRD4BRD2BRD3NAMPT
SCHEMBL24076827 0.77 RNF114 (0.66) BRD4RNF114

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-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 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-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 BRD4 205/4885RNF114 1/4885BRD2 399/4885

“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.