SCHEMBL5579359

SCHEMBL5579359

Cc1c(-c2ccc(NC(=O)OC(C)(C)C)cc2)nc(C(=O)O)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.46
PSMB8 P28062 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
MAP4K4 O95819 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
JAK2 O60674 2/20 0.40
BRD4 O60885 1/20 0.40
BCL2 P10415 4/20 0.40
BECN1 Q14457 2/20 0.40
MAPK14 Q16539 1/20 0.40
NAMPT P43490 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
LYN P07948 1/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
FRK P42685 1/20 0.40
BLK P51451 1/20 0.40
PTK6 Q13882 1/20 0.40
P2RY14 Q15391 1/20 0.39

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
SCHEMBL5579358 0.83 CYP17A1 (0.46) CYP17A1PSMB8PTGDR2MAP4K4CD274
SCHEMBL2028684 0.77 CYP17A1 (0.47) CYP17A1PSMB8PTGDR2MAP4K4CD274
SCHEMBL24867846 0.75 CYP17A1 (0.47) CYP17A1PSMB8PTGDR2MAP4K4CD274
SCHEMBL25432836 0.75 CYP17A1 (0.50) CYP17A1PSMB8PTGDR2MAP4K4CD274
SCHEMBL20865536 0.74 CYP17A1 (0.68) CYP17A1PSMB8MAP4K4CD274BRD4
SCHEMBL3805342 0.73 P2RY12 (0.35) CYP17A1PTGDR2BRD4MAPK14NAMPT
SCHEMBL13055402 0.72 CYP17A1 (0.59) CYP17A1PSMB8PTGDR2MAP4K4MAPK14
SCHEMBL3360413 0.72 CYP17A1 (0.63) CYP17A1PSMB8MAP4K4CD274BCL2
SCHEMBL16329523 0.72 CHEK2 (0.50) CYP17A1PSMB8MAP4K4CD274BRD4
SCHEMBL18570243 0.72 CYP17A1 (0.61) CYP17A1PSMB8MAP4K4CD274BCL2

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-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers SPIROGEN LIMITED (GB) 2007-10-25 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-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 CYP17A1 2879/4885PSMB8 1377/4885PTGDR2 4608/4885

“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.