SCHEMBL13328633

SCHEMBL13328633

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 18/20 0.42
HSP90AA1 P07900 17/20 0.42
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL6053886 0.86 NT5E (0.42) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC4
SCHEMBL5662655 0.86 NT5E (0.42) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC4
SCHEMBL6053674 0.86 NT5E (0.42) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC4
SCHEMBL5662631 0.86 NT5E (0.42) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC4
SCHEMBL13328618 0.85 HSP90AB1 (0.44) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC4
SCHEMBL13328630 0.83 CYP3A4 (0.48)
SCHEMBL2913721 0.80 HSP90AB1 (0.42) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC4
SCHEMBL13714914 0.80 HSP90AB1 (0.43) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC4
SCHEMBL3294539 0.77 CDK1 (0.46) HSP90AB1HSP90AA1
SCHEMBL9177023 0.77 CYP3A4 (0.49) HSP90AB1HSP90AA1HSP90B1TRAP1HDAC4

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 5 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
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 HSP90AB1 3304/4885HSP90AA1 4081/4885HSP90B1 2021/4885

“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.