SCHEMBL13728329

SCHEMBL13728329

COCCOc1nc(N)c2nc(O)n(CC(COc3ccccc3)OCP(=O)(N[C@@H](C)C(=O)OC(C)C)N[C@@H](C)C(=O)OC(C)C)c2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.42
NUDT1 P36639 1/20 0.35
SERPINA3 P01011 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP3A5 P20815 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
BTN3A1 O00481 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
SCHEMBL13728990 1.00 TLR7 (0.42) TLR7NUDT1SERPINA3KMT2ACYP2E1
SCHEMBL13728634 1.00 TLR7 (0.42) TLR7NUDT1SERPINA3KMT2ACYP2E1
SCHEMBL13727022 1.00 TLR7 (0.42) TLR7NUDT1SERPINA3KMT2ACYP2E1
SCHEMBL14307926 0.95 TLR7 (0.39) TLR7NUDT1SERPINA3BTN3A1
SCHEMBL13727046 0.93 TLR7 (0.41) TLR7NUDT1SERPINA3BTN3A1
SCHEMBL13728931 0.93 TLR7 (0.42) TLR7NUDT1
SCHEMBL13727668 0.93 TLR7 (0.42) TLR7NUDT1
SCHEMBL13728622 0.93 TLR7 (0.42) TLR7NUDT1
SCHEMBL13728985 0.93 TLR7 (0.42) TLR7NUDT1
SCHEMBL13727673 0.92 TLR7 (0.41) TLR7NUDT1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338593-B2 Agonists; Treatment of Hepatitis C virus; phosphinate-substituted purine derivatives GILEAD SCIENCES, INC. (US) 2012-12-25 US disclosed
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES, INC. (US) 2009-08-13 US disclosed
US-20080008682-A1 Modulators of toll-like receptor 7 GILEAD SCIENCES, INC. 2008-01-10 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-20080008682-A1 Modulators of toll-like receptor 7 TLR7, TLR6, TLR3 TLR7 1/4885NUDT1 3020/4885SERPINA3 3298/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 TLR7 1/4885NUDT1 2864/4885SERPINA3 3057/4885

“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.