SCHEMBL4285223

SCHEMBL4285223

CCC(O)C(C)C1OC1CC(C)C=CC=C(C)C1OC(=O)CC(O)CCC(C)(O)C(OC(=O)NCCOCCOCCNC(=O)CCCCC2=[N+]3C(=Cc4c(C)cc(C)n4[B-]3(F)F)C=C2)/C=C/C1C

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SF3B3 Q15393 10/20 0.87
ACKR3 P25106 2/20 0.35
SGK1 O00141 2/20 0.34
PLK4 O00444 2/20 0.34
STK25 O00506 2/20 0.34
CIT O14578 2/20 0.34
CASK O14936 2/20 0.34
AURKA O14965 2/20 0.34
PDPK1 O15530 2/20 0.34
DAPK3 O43293 2/20 0.34
MAP3K7 O43318 2/20 0.34
NUAK1 O60285 2/20 0.34
CCNT1 O60563 2/20 0.34
ROCK2 O75116 2/20 0.34
ULK1 O75385 2/20 0.34
RPS6KA5 O75582 2/20 0.34
STK16 O75716 2/20 0.34
PAK4 O96013 2/20 0.34
NTRK1 P04629 2/20 0.34
PRKCG P05129 2/20 0.34

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
SCHEMBL4294023 0.86 SF3B3 (0.66) SF3B3ACKR3SGK1PLK4STK25
SCHEMBL4293381 0.79 SF3B3 (0.60) SF3B3
SCHEMBL1505078 0.78 SF3B3 (0.77) SF3B3
SCHEMBL1505080 0.77 SF3B3 (0.68) SF3B3
SCHEMBL1505187 0.77 SF3B3 (0.64) SF3B3
SCHEMBL16075728 0.77 SF3B3 (0.66) SF3B3
SCHEMBL1505068 0.77 SF3B3 (0.63) SF3B3
SCHEMBL1505061 0.77 SF3B3 (0.66) SF3B3
SCHEMBL13701254 0.76 SF3B3 (0.70) SF3B3
SCHEMBL1505890 0.76 SF3B3 (0.65) SF3B3

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-20090227795-A1 TARGET MOLECULES OF PLADIENOLIDES, COMPOUNDS BINDING TO SUCH TARGET MOLECULES, AND SCREENING METHOD THEREOF EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-09-10 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-20090227795-A1 TARGET MOLECULES OF PLADIENOLIDES, COMPOUNDS BINDING TO SUCH TARGET MOLECULES, AND SCREENING METHOD THEREOF SF3B3, SF3B2, SF3B1 SF3B3 1/4885ACKR3 1810/4885SGK1 2043/4885

“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.