SCHEMBL2914873

SCHEMBL2914873

CC(C)(C)OC(=O)OCC(COC(=O)OC(C)(C)C)(OC1(Cn2cnc3cnc(N)nc32)CC1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ADRA1A P35348 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC6 Q9UBN7 2/20 0.38
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
IRAK4 Q9NWZ3 2/20 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
SCHEMBL2910861 0.90 KDM4E (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2904680 0.89 KDM4E (0.42) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2910752 0.88 KDM4E (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2914721 0.87 POLB (0.31)
SCHEMBL4264291 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2942657 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2942651 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL3291370 0.81 HDAC6 (0.39) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL28486477 0.78 KDM4E (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2913792 0.78 HSP90AA1 (0.32) HSP90AA1HSP90AB1

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 9 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-7605147-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2009-10-20 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-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2006-12-28 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 (3 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 KDM4E 3932/4885ALDH1A1 1512/4885HPGD 1350/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP KDM4E 4056/4885ALDH1A1 2937/4885HPGD 2107/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP KDM4E 4056/4885ALDH1A1 2937/4885HPGD 2107/4885

“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.