SCHEMBL12729616

SCHEMBL12729616

CC(CSSc1ccccn1)OC(=O)n1c(NC(=O)OCC2c3ccccc3-c3ccccc32)nc2c(ncn2C2CC3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OCC3O2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32

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
SCHEMBL12729592 0.82 HDAC1 (0.37) HDAC1HDAC2
SCHEMBL12729601 0.80 KDM4E (0.39) —
SCHEMBL12729571 0.78 ADORA3 (0.33) —
SCHEMBL12729593 0.78 KDM4E (0.41) —
SCHEMBL12531469 0.70 POLB (0.34) —
SCHEMBL12729615 0.68 CYP1A2 (0.43) —
SCHEMBL12729558 0.66 — —
SCHEMBL17467846 0.66 ALDH1A1 (0.40) —
SCHEMBL17833857 0.65 P2RY6 (0.43) —
SCHEMBL1970429 0.65 PDE4A (0.38) —

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-20160168636-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION 2016-06-16 — — US disclosed
US-20160168636-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION 2016-06-16 — — US disclosed
US-9163053-B2 Nucleotide analogs FLUIDIGM CORPORATION (US) 2015-10-20 — — US disclosed
US-9163053-B2 Nucleotide analogs FLUIDIGM CORPORATION (US) 2015-10-20 — — US disclosed
US-20110081647-A1 NUCLEOTIDE ANALOGS HELICOS BIOSCIENCES CORPORATION (US) 2011-04-07 — — 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-20110081647-A1 NUCLEOTIDE ANALOGS DUT, NT5C2, NUDT21 HDAC1 4118/4885HDAC2 4516/4885

“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.

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