SCHEMBL2102528

SCHEMBL2102528

OC[C@H]1OC(c2nc(NCCCn3ccnc3)c3occc3n2)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 3/20 0.44
ALDH1A1 P00352 4/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPK1 P28482 2/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.39
QPCT Q16769 2/20 0.39
HPGD P15428 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL2102763 0.84 MAPT (0.35) MAPK1MAPTKDM4EPOLB
SCHEMBL2104719 0.78 SLC5A2 (0.39)
SCHEMBL2102605 0.76 PYGL (0.33) CYP1A2CYP3A4MAPTSMN1; SMN2TSHR
SCHEMBL260215 0.76 SLC5A2 (0.39)
SCHEMBL2610992 0.74 CYP1A2 (0.51) SOD1ALDH1A1HSD17B10MAPK1CYP1A2
SCHEMBL2101894 0.71 SLC5A2 (0.36) ALDH1A1CYP3A4TSHRHPGDNPC1
SCHEMBL260163 0.67 SLC5A2 (0.37) CYP1A2CYP3A4MAPTSMN1; SMN2TSHR
SCHEMBL2103863 0.67 PYGL (0.46)
SCHEMBL3902748 0.67 SLC5A2 (0.40) CYP1A2CYP3A4MAPTSMN1; SMN2TSHR
SCHEMBL2102022 0.67 SLC5A2 (0.37) MAPTSMN1; SMN2KDM4ELMNA

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 14 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
EP-1863500-A2 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. (US) 2007-12-12 EP disclosed
US-20060234963-A1 Hepatitis C therapies WILMINGTON TRUST, NATIONAL ASSOCIATION 2006-10-19 US disclosed
WO-2006104945-A2 HEPATITIS C THERAPIES BIOCRYST PHARMACEUTICALS, INC. (US) 2006-10-05 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 (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 SOD1 686/4885ALDH1A1 435/4885GSK3A 671/4885
US-20060234963-A1 Hepatitis C therapies HAVCR2, FABP1, LIPC SOD1 686/4885ALDH1A1 435/4885GSK3A 671/4885
US-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC SOD1 686/4885ALDH1A1 435/4885GSK3A 671/4885

“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.