SCHEMBL4103648

SCHEMBL4103648

CCC(C)OP(=O)(O)COC(COc1ccccc1)Cn1cnc2c(N)nc(OCCOC)nc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.41
CYP2D6 P10635 11/20 0.41
TLR7 Q9NYK1 3/20 0.40
HPRT1 P00492 1/20 0.38

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
SCHEMBL4104451 0.88 CYP3A4 (0.41) CYP3A4CYP2D6TLR7
SCHEMBL4090126 0.86 TLR7 (0.44) TLR7HPRT1
SCHEMBL4103638 0.85 TLR7 (0.40) TLR7HPRT1
SCHEMBL19508634 0.79 HPRT1 (0.44) CYP3A4CYP2D6HPRT1
SCHEMBL4096891 0.79 HPRT1 (0.41) CYP3A4CYP2D6TLR7HPRT1
SCHEMBL4094947 0.79 AGER (0.47) CYP3A4TLR7HPRT1
SCHEMBL4102048 0.79 TLR7 (0.41) CYP3A4CYP2D6TLR7HPRT1
SCHEMBL3924384 0.78 PNP (0.41) CYP3A4CYP2D6TLR7HPRT1
SCHEMBL4095261 0.77 FGFR1 (0.37) CYP3A4CYP2D6TLR7
SCHEMBL4100830 0.76 SERPINA3 (0.43) TLR7HPRT1

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 CYP3A4 4601/4885CYP2D6 3898/4885TLR7 1/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 CYP3A4 4624/4885CYP2D6 3952/4885TLR7 1/4885

“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.