SCHEMBL3000654

SCHEMBL3000654

COc1ccc(Sc2nc(N)nc3c2ncn3CC2(OC(CC(F)(F)F)(CC(F)(F)F)P(=O)(O)O)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ADORA2A P29274 1/20 0.33
CYP2C19 P33261 3/20 0.33
DHFR P00374 1/20 0.32
CYP1A2 P05177 3/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CNR2 P34972 1/20 0.31
HK1 P19367 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 2/20 0.30
HIF1A Q16665 2/20 0.30
SLC29A1 Q99808 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PHLPP2 Q6ZVD8 1/20 0.30
CYP2D6 P10635 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
SCHEMBL2914175 0.92 CYP2C19 (0.34) CYP2C19CYP1A2HK1HKDC1CYP3A4
SCHEMBL2909064 0.90 CYP1A2 (0.38) CYP2C19CYP1A2HDAC1HDAC2HK1
SCHEMBL3290187 0.89 HSP90AA1 (0.33) HSP90AA1HSP90AB1ADORA2ACYP2C19DHFR
SCHEMBL2983884 0.88 CYP1A2 (0.37) ADORA2ACYP2C19CYP1A2CYP3A4SLC29A1
SCHEMBL2983874 0.88 CYP1A2 (0.37) ADORA2ACYP2C19CYP1A2CYP3A4SLC29A1
SCHEMBL2913792 0.85 HSP90AA1 (0.32) HSP90AA1HSP90AB1ADORA2ACYP2C19HDAC3
SCHEMBL3289946 0.85 HK1 (0.33) HSP90AA1HSP90AB1ADORA2ACYP2C19CYP1A2
SCHEMBL15532048 0.84 CYP2C19 (0.38) HSP90AA1HSP90AB1ADORA2ACYP2C19DHFR
SCHEMBL2907738 0.84 HSP90AA1 (0.37) HSP90AA1HSP90AB1ADORA2ACYP2C19DHFR
SCHEMBL2912438 0.83 HSP90AB1 (0.39) HSP90AA1HSP90AB1HDAC3HDAC1HDAC2

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 11 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-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 claimed
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 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 HSP90AA1 2638/4885HSP90AB1 2225/4885ADORA2A 390/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HSP90AA1 4081/4885HSP90AB1 3304/4885ADORA2A 119/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HSP90AA1 4081/4885HSP90AB1 3304/4885ADORA2A 119/4885

“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.