SCHEMBL13360613

SCHEMBL13360613

CC(C)OP(=O)(CO[C@H](Cn1cnc2c(I)nc(N)nc21)CC(C)(C)C)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 12/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CYP3A4 P08684 1/20 0.36
FAP Q12884 2/20 0.35
SLC29A1 Q99808 1/20 0.35
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL14629615 0.83 CYP3A4 (0.41) HPRT1CCNE1CDK2CYP3A4FAP
SCHEMBL13360612 0.82 CYP3A4 (0.56) CYP3A4FAP
SCHEMBL13360654 0.78 HSP90AB1 (0.44) CCNE1CDK2CYP3A4HSP90AA1HSP90AB1
SCHEMBL9177023 0.75 CYP3A4 (0.49) CYP3A4FAPHSP90AA1HSP90AB1
SCHEMBL9176435 0.75 CYP3A4 (0.49) CYP3A4FAPHSP90AA1HSP90AB1
SCHEMBL7263249 0.75 CYP3A4 (0.49) CYP3A4FAPHSP90AA1HSP90AB1
SCHEMBL13328656 0.74 HSP90AA1 (0.33) HPRT1CCNE1CDK2CYP3A4SLC29A1
SCHEMBL9171347 0.71 HPRT1 (0.41) HPRT1CDK2CYP3A4
SCHEMBL9175112 0.71 HPRT1 (0.41) HPRT1CDK2CYP3A4
SCHEMBL8752233 0.71 HSP90AB1 (0.43) 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 3 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

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 HPRT1 34/4885CCNE1 1216/4885CDK2 671/4885

“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.