SCHEMBL4100830

SCHEMBL4100830

CCC(C)OP(=O)(O)C(Cc1ccccc1)OCCn1cnc2c(N)nc(OCCOC)nc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SERPINA3 P01011 1/20 0.43
TLR7 Q9NYK1 9/20 0.42
HPRT1 P00492 4/20 0.40
NUDT1 P36639 1/20 0.40
TMIGD3 P0DMS9 3/20 0.38
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
ADORA2B P29275 1/20 0.37

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
SCHEMBL4100896 0.88 TLR7 (0.46) TLR7NUDT1TMIGD3ADORA2AADORA1
SCHEMBL3996500 0.86 HPRT1 (0.45) TLR7HPRT1ADORA2AADORA2B
SCHEMBL4096891 0.80 HPRT1 (0.41) TLR7HPRT1ADORA2AADORA2B
SCHEMBL3924384 0.78 PNP (0.41) TLR7HPRT1
SCHEMBL4104451 0.77 CYP3A4 (0.41) TLR7
SCHEMBL4108208 0.77 TLR7 (0.53) TLR7NUDT1
SCHEMBL4103648 0.76 CYP3A4 (0.41) TLR7HPRT1
SCHEMBL3934188 0.76 TLR7 (0.40) SERPINA3TLR7HPRT1NUDT1TMIGD3
SCHEMBL4100611 0.75 TLR7 (0.38) TLR7NUDT1ADORA2AADORA1ADORA2B
SCHEMBL4002739 0.75 TLR7 (0.52) TLR7NUDT1TMIGD3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038290-B1 MODULATORS OF TOLL-LIKE RECEPTOR 7 GILEAD SCIENCES INC (US) 2013-09-04 EP disclosed
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 SERPINA3 3298/4885TLR7 1/4885HPRT1 4194/4885
US-20090202484-A1 MODULATORS OF TOLL-LIKE RECEPTOR 7 TLR7, TLR6, TLR3 SERPINA3 3057/4885TLR7 1/4885HPRT1 4030/4885

“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.