SCHEMBL2914520

SCHEMBL2914520

COc1ccc(Sc2nc(N)nc3c2ncn3CC2(OC(COC(=O)OC(C)(C)C)(COC(=O)OC(C)(C)C)P(=O)(O)O)CC2C)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADORA2A P29274 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
SCHEMBL2911550 0.91 HK1 (0.32) HSP90AA1HSP90AB1CYP2C19
SCHEMBL2906360 0.90 SLC29A1 (0.36) CYP2C19ADORA2A
SCHEMBL2913792 0.90 HSP90AA1 (0.32) HSP90AA1HSP90AB1CYP2C19ADORA2A
SCHEMBL4268504 0.88 HK1 (0.32) HSP90AA1HSP90AB1CYP2C19ADORA2A
SCHEMBL2937081 0.86 HSP90AA1 (0.33) HSP90AA1HSP90AB1CYP2C19ADORA2A
SCHEMBL3290187 0.86 HSP90AA1 (0.33) HSP90AA1HSP90AB1CYP2C19ADORA2A
SCHEMBL2909404 0.81 CYP1A2 (0.34) ADORA2A
SCHEMBL3290816 0.81 HSP90AA1 (0.36) HSP90AA1HSP90AB1CYP2C19ADORA2A
SCHEMBL3289946 0.81 HK1 (0.33) HSP90AA1HSP90AB1CYP2C19ADORA2A
SCHEMBL2913683 0.80 SLC29A1 (0.37) CYP2C19ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358198-B1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD (KR) 2010-08-25 EP claimed
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 HSP90AA1 2638/4885HSP90AB1 2225/4885CYP2C19 1478/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HSP90AA1 4081/4885HSP90AB1 3304/4885CYP2C19 681/4885

“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.