SCHEMBL13328656

SCHEMBL13328656

CC(C)OP(=O)(CO[C@]1(Cn2cnc3c(I)nc(N)nc32)CC1(C)C)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.33
HSP90AB1 P08238 4/20 0.33
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
POLB P06746 2/20 0.33
CYP2C19 P33261 1/20 0.32
HPRT1 P00492 2/20 0.32
SLC29A1 Q99808 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
CYP3A4 P08684 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
SCHEMBL13328650 0.82 CYP3A4 (0.48) CYP3A4
SCHEMBL2909221 0.79 HPRT1 (0.34) HSP90AA1HSP90AB1CCNE1CDK2CDK1
SCHEMBL13328618 0.76 HSP90AB1 (0.44) HSP90AA1HSP90AB1
SCHEMBL12999109 0.76 HSP90AB1 (0.38) HSP90AA1HSP90AB1CCNE1CDK2CDK1
SCHEMBL14629615 0.76 CYP3A4 (0.41) HSP90AA1HSP90AB1CCNE1CDK2CDK1
SCHEMBL2906275 0.75 POLB (0.38) CCNE1CDK2CDK1CCNB1POLB
SCHEMBL13328633 0.74 HSP90AB1 (0.42) HSP90AA1HSP90AB1
SCHEMBL13360613 0.74 HPRT1 (0.36) HSP90AA1HSP90AB1CCNE1CDK2HPRT1
SCHEMBL13714842 0.71 CCNE1 (0.44) HSP90AA1HSP90AB1CCNE1CDK2CDK1
SCHEMBL2914746 0.71 FAP (0.49) POLBCYP2C19

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
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-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2010-01-07 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HSP90AA1 4081/4885HSP90AB1 3304/4885CCNE1 1216/4885

“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.