SCHEMBL2911587

SCHEMBL2911587

CC(C)C(NCC1(Cn2cnc3c(Cl)nc(N)nc32)CC1)(C(C)C)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC4 P56524 1/20 0.42
HSP90AA1 P07900 12/20 0.39
HSP90AB1 P08238 12/20 0.39
HDAC2 Q92769 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
SCHEMBL2913613 0.83 CYP3A4 (0.48)
SCHEMBL6004137 0.82 HSP90AB1 (0.41) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL4966123 0.77 HDAC6 (0.41) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL3134817 0.77 HSP90AB1 (0.41) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL5720718 0.76 HSP90AB1 (0.43) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL3861519 0.74 HDAC6 (0.43) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL27779987 0.74 HSP90AB1 (0.44) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL6004197 0.73 CDK2 (0.44) HSP90AA1HSP90AB1
SCHEMBL2913721 0.73 HSP90AB1 (0.42) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1
SCHEMBL13714914 0.72 HSP90AB1 (0.43) HDAC6HDAC1HDAC4HSP90AA1HSP90AB1

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 8 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 disclosed
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-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 (4 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 HDAC6 2233/4885HDAC1 1485/4885HDAC4 1973/4885
US-20100004440-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HDAC6 1806/4885HDAC1 2564/4885HDAC4 2399/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HDAC6 1806/4885HDAC1 2564/4885HDAC4 2399/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP HDAC6 1806/4885HDAC1 2564/4885HDAC4 2399/4885

“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.