SCHEMBL13360654

SCHEMBL13360654

CC(C)C[C@@H](Cn1cnc2c(Cl)nc(N)nc21)OCP(=O)(OC(C)C)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 15/20 0.44
HSP90AA1 P07900 14/20 0.44
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41
HSP90B1 P14625 1/20 0.40
TRAP1 Q12931 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL9176435 0.88 CYP3A4 (0.49) HSP90AB1HSP90AA1HDAC1HDAC6HDAC4
SCHEMBL7263249 0.88 CYP3A4 (0.49) HSP90AB1HSP90AA1HDAC1HDAC6HDAC4
SCHEMBL9177023 0.88 CYP3A4 (0.49) HSP90AB1HSP90AA1HDAC1HDAC6HDAC4
SCHEMBL8752184 0.83 HSP90AB1 (0.43) HSP90AB1HSP90AA1HDAC1HDAC6HDAC4
SCHEMBL8752233 0.83 HSP90AB1 (0.43) HSP90AB1HSP90AA1HDAC1HDAC6HDAC4
SCHEMBL13360604 0.82 CYP3A4 (0.58) CYP3A4CYP2D6
SCHEMBL13714798 0.80 HSP90AB1 (0.44) HSP90AB1HSP90AA1HDAC1HDAC6HDAC4
SCHEMBL13714819 0.80 HSP90AB1 (0.44) HSP90AB1HSP90AA1HDAC1HDAC6HDAC4
SCHEMBL2606971 0.79 HSP90AB1 (0.47) HSP90AB1HSP90AA1HDAC1HDAC6HDAC4
SCHEMBL20012285 0.78 HPRT1 (0.45) HSP90AB1HSP90AA1HDAC1HDAC6HDAC4

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 HSP90AB1 3304/4885HSP90AA1 4081/4885HDAC1 2564/4885

“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.