SCHEMBL2028706

SCHEMBL2028706

COC(=O)c1cc(-c2ccc(NC(=O)c3cc(NC(=O)c4cc(NC(=O)OC(C)(C)C)cn4C)cn3C)cc2)cn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.43
PRKDC P78527 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
P2RY12 Q9H244 1/20 0.41
MAP4K4 O95819 1/20 0.41
PSMB8 P28062 1/20 0.39
NAMPT P43490 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LEF1 Q9UJU2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
PTPN1 P18031 1/20 0.37
P2RY14 Q15391 1/20 0.37
DRD2 P14416 1/20 0.37
MAPK14 Q16539 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL16710923 1.00 CYP17A1 (0.43) CYP17A1PRKDCCD274P2RY12MAP4K4
SCHEMBL18574370 1.00 CYP17A1 (0.43) CYP17A1PRKDCCD274P2RY12MAP4K4
SCHEMBL20527187 0.94 CYP17A1 (0.47) CYP17A1PRKDCCD274MAP4K4NAMPT
SCHEMBL2028264 0.92 CYP17A1 (0.49) CYP17A1PRKDCCD274MAP4K4PSMB8
SCHEMBL18976024 0.90 CYP17A1 (0.46) CYP17A1PRKDCCD274MAP4K4PSMB8
SCHEMBL21451881 0.90 CYP17A1 (0.44) CYP17A1PRKDCCD274P2RY12MAP4K4
SCHEMBL26073595 0.90 CYP17A1 (0.47) CYP17A1PRKDCCD274MAP4K4PSMB8
SCHEMBL20527184 0.90 CYP17A1 (0.49) CYP17A1PRKDCCD274MAP4K4NAMPT
SCHEMBL19739304 0.90 CYP17A1 (0.44) CYP17A1PRKDCCD274P2RY12MAP4K4
SCHEMBL16710976 0.90 HDAC1 (0.39) CYP17A1PRKDCCD274P2RY12MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727808-B3 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2013-01-09 EP disclosed
US-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2011-06-30 US disclosed
EP-1727808-B1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LTD (GB) 2008-11-12 EP disclosed
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 (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-20110160192-A1 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS PCNA, POLL, XPA CYP17A1 3014/4885PRKDC 2569/4885CD274 3772/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 CYP17A1 2879/4885PRKDC 2685/4885CD274 3580/4885

“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.