SCHEMBL2028684

SCHEMBL2028684

Cn1cc(-c2ccc(NC(=O)OC(C)(C)C)cc2)nc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.47
P2RY14 Q15391 1/20 0.46
PSMB8 P28062 1/20 0.46
SREBF2 Q12772 1/20 0.43
MAP4K4 O95819 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 1/20 0.41
SCN3A Q9NY46 1/20 0.41
PRKDC P78527 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
CHRM1 P11229 1/20 0.41
TTK P33981 1/20 0.41
NAMPT P43490 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL2030314 0.89 PSMB8 (0.47) CYP17A1P2RY14PSMB8SREBF2MAP4K4
SCHEMBL21451631 0.89 NAMPT (0.47) CYP17A1P2RY14PSMB8NPC1RAB9A
SCHEMBL21451867 0.81 SCN3A (0.42) CYP17A1P2RY14PSMB8SREBF2SCN9A
SCHEMBL2028022 0.80 PRKDC (0.43) CYP17A1P2RY14PSMB8SREBF2MAP4K4
SCHEMBL16710975 0.79 CYP17A1 (0.43) CYP17A1P2RY14PSMB8SREBF2MAP4K4
SCHEMBL1986577 0.78 GSK3B (0.43) CYP17A1PSMB8NPC1RAB9AMAPT
SCHEMBL5579359 0.77 CYP17A1 (0.46) CYP17A1P2RY14PSMB8MAP4K4CD274
SCHEMBL5579358 0.77 CYP17A1 (0.46) CYP17A1P2RY14PSMB8MAP4K4PRKDC
SCHEMBL2617428 0.76 ATM (0.43)
SCHEMBL10215114 0.76 ATM (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-22 US disclosed
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM BRISTOL-MYERS SQUIBB COMPANY 2018-04-26 US disclosed
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
EP-1727808-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS Spirogen Limited (GB) 2006-12-06 EP disclosed
WO-2005085177-A2 BIARYL AMINO ACIDS AND THEIR USE IN DNA BINDING OLIGOMERS SPIROGEN LIMITED (GB) 2005-09-15 WO 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 (5 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 3014/4885P2RY14 4402/4885PSMB8 1339/4885
US-20070249591-A1 Biaryl Amino Acids and Their Use in Dna Binding Oligomers PCNA, POLL, DNA2 CYP17A1 2879/4885P2RY14 4428/4885PSMB8 1377/4885
US-20180110873-A1 ANTIPROLIFERATIVE COMPOUNDS AND CONJUGATES MADE THEREFROM MKI67, HDGF, PCLAF CYP17A1 558/4885P2RY14 4765/4885PSMB8 2959/4885
US-10869934-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF CYP17A1 558/4885P2RY14 4765/4885PSMB8 2959/4885
US-10398783-B2 Antiproliferative compounds and conjugates made therefrom MKI67, HDGF, PCLAF CYP17A1 558/4885P2RY14 4765/4885PSMB8 2959/4885

“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.