SCHEMBL4073597

SCHEMBL4073597

Nc1cncc(C2OCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
DDO Q99489 1/20 0.34
NSD2 O96028 1/20 0.31
CASP6 P55212 1/20 0.31
CCNB2 O95067 1/20 0.30
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
CCNB3 Q8WWL7 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL12133934 0.79 CYP11B1 (0.60) CYP11B1CYP11B2MEN1KMT2ACCNB2
SCHEMBL23352226 0.78 CYP11B1 (0.51) CYP11B1CYP11B2MEN1KMT2ACCNB2
SCHEMBL19265379 0.76 CCNB2 (0.31) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL13912176 0.76 CYP11B1 (0.43) CYP11B1CYP11B2CCNB2CDK1CCNB1
SCHEMBL30132809 0.76 CYP11B1 (0.43) CYP11B1CYP11B2KDM4E
SCHEMBL1356433 0.76 CYP11B1 (0.43) CYP11B1CYP11B2KDM4E
SCHEMBL11186614 0.76 CYP11B1 (0.40) CYP11B1CYP11B2
SCHEMBL2713555 0.73 CYP11B2 (0.41) CYP11B1CYP11B2
SCHEMBL18727815 0.72 NSD2 (0.37) CYP11B1CYP11B2NSD2CASP6CCNB2
SCHEMBL14228280 0.72 KDM4E (0.38) CYP11B2KDM4EMEN1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933012-B2 Glycopeptide antibiotic derivative SHIONOGI & CO., LTD. (JP) 2015-01-13 US disclosed
US-8933012-B2 Glycopeptide antibiotic derivative SHIONOGI & CO., LTD. (JP) 2015-01-13 US disclosed
US-8933012-B2 Glycopeptide antibiotic derivative SHIONOGI & CO., LTD. (JP) 2015-01-13 US disclosed
US-20090286717-A1 Glycopeptide Antibiotic Derivative SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286717-A1 Glycopeptide Antibiotic Derivative SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286717-A1 Glycopeptide Antibiotic Derivative SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
EP-2030982-A1 GLYCOPEPTIDE ANTIBIOTIC DERIVATIVE SHIONOGI & CO., LTD. (JP) 2009-03-04 EP disclosed
EP-2030982-A1 GLYCOPEPTIDE ANTIBIOTIC DERIVATIVE SHIONOGI & CO., LTD. (JP) 2009-03-04 EP 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-20090286717-A1 Glycopeptide Antibiotic Derivative NR2C2, NR0B2, NR3C2 CYP11B1 1254/4885CYP11B2 787/4885KDM4E 4423/4885

“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.