SCHEMBL3289946

SCHEMBL3289946

COc1ccc(Sc2nc(N)nc3c2ncn3CC2(OC(COC(=O)OC(C)C)(COC(=O)OC(C)C)P(=O)(O)O)CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HK1 P19367 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
CYP2C19 P33261 1/20 0.32
FAP Q12884 1/20 0.32
SLC29A1 Q99808 1/20 0.31
ADORA2A P29274 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL2913792 0.91 HSP90AA1 (0.32) HK1HKDC1HSP90AA1HSP90AB1CYP2C19
SCHEMBL2911882 0.90 CYP1A2 (0.35) HK1HKDC1CYP2C19FAPSLC29A1
SCHEMBL2911550 0.90 HK1 (0.32) HK1HKDC1HSP90AA1HSP90AB1CYP2C19
SCHEMBL4279937 0.86 HK1 (0.35) HK1HKDC1HSP90AA1HSP90AB1CYP2C19
SCHEMBL2941709 0.85 HK1 (0.35) HK1HKDC1HSP90AA1HSP90AB1CYP2C19
SCHEMBL3000654 0.85 HSP90AA1 (0.35) HK1HKDC1HSP90AA1HSP90AB1CYP2C19
SCHEMBL3292459 0.83 FAP (0.36) HSP90AA1HSP90AB1FAP
SCHEMBL2914520 0.81 HSP90AA1 (0.31) HSP90AA1HSP90AB1CYP2C19ADORA2A
SCHEMBL2913683 0.81 SLC29A1 (0.37) CYP2C19SLC29A1ADORA2ACYP1A2
SCHEMBL2909404 0.80 CYP1A2 (0.34) HK1HKDC1SLC29A1ADORA2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 US claimed
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2004-04-01 US claimed
US-7723319-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2010-05-25 US disclosed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 US disclosed
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2004-04-01 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-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections PNP, TYMP, ENTPD5 HK1 1009/4885HKDC1 2938/4885HSP90AA1 2638/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HK1 1106/4885HKDC1 1842/4885HSP90AA1 4081/4885

“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.