SCHEMBL2102605

SCHEMBL2102605

OC[C@H]1OC(c2nc(NCC(O)O)c3occc3n2)[C@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC5A2 P31639 1/20 0.32

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
SCHEMBL2104719 0.87 SLC5A2 (0.39) ADORA3ADORA2AADORA2BADORA1SLC5A2
SCHEMBL2102763 0.85 MAPT (0.35) PYGLADORA3ADORA2AADORA1KDM4E
SCHEMBL260215 0.84 SLC5A2 (0.39) PYGLADORA3ADORA1SLC5A2
SCHEMBL2101894 0.82 SLC5A2 (0.36) ADORA3ADORA2AADORA2BADORA1PMP22
SCHEMBL2102528 0.76 SOD1 (0.44) KDM4ELMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL260163 0.75 SLC5A2 (0.37) PYGLKDM4EGMNNLMNAMAPT
SCHEMBL2103863 0.75 PYGL (0.46) PYGLSLC5A2
SCHEMBL3902748 0.75 SLC5A2 (0.40) PYGLKDM4EGMNNLMNAMAPT
SCHEMBL260515 0.72 OGA (0.40) PYGLSLC5A2
SCHEMBL2102022 0.72 SLC5A2 (0.37) PYGLKDM4EGMNNLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130078218-A1 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. 2013-03-28 US claimed
EP-2537520-A1 Hepatics C therapies Biocryst Pharmaceuticals, Inc. (US) 2012-12-26 EP claimed
US-8163703-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2012-04-24 US claimed
US-20100143300-A1 HEPATITIS C THERAPIES WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-06-10 US claimed
US-7514410-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2009-04-07 US claimed
US-20060234963-A1 Hepatitis C therapies WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-10-19 US claimed
US-20130078218-A1 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. 2013-03-28 US disclosed
EP-2537520-A1 Hepatics C therapies Biocryst Pharmaceuticals, Inc. (US) 2012-12-26 EP disclosed
US-8163703-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-20100143300-A1 HEPATITIS C THERAPIES WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-06-10 US disclosed
US-7514410-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-20060234963-A1 Hepatitis C therapies WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-10-19 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 (3 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-20130078218-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC PYGL 45/4885ADORA3 802/4885ADORA2A 1148/4885
US-20060234963-A1 Hepatitis C therapies HAVCR2, FABP1, LIPC PYGL 45/4885ADORA3 802/4885ADORA2A 1148/4885
US-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC PYGL 45/4885ADORA3 802/4885ADORA2A 1148/4885

“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.