SCHEMBL12729560

SCHEMBL12729560

O=C(CCCSSc1ccccn1)n1c(=O)ccn(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 11/20 0.41
▸ P2RY6 Q15077 9/20 0.40
▸ P2RY4 P51582 6/20 0.39
▸ POLB P06746 1/20 0.39
▸ DUT P33316 2/20 0.39
▸ POLA1 P09884 1/20 0.37
▸ TRPM2 O94759 1/20 0.36

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
SCHEMBL12729559 0.85 DNMT1 (0.37) —
SCHEMBL12729521 0.82 DUT (0.45) P2RY2P2RY6P2RY4POLBDUT
SCHEMBL12369380 0.79 P2RY2 (0.46) P2RY2P2RY6P2RY4POLB
SCHEMBL12369382 0.79 P2RY12 (0.52) P2RY2P2RY6POLB
SCHEMBL12729595 0.77 POLB (0.45) P2RY2P2RY6P2RY4POLBTRPM2
SCHEMBL14183915 0.77 P2RY12 (0.53) P2RY2P2RY6POLB
SCHEMBL12729634 0.76 P2RY2 (0.45) P2RY2P2RY6P2RY4POLB
SCHEMBL17833852 0.76 P2RY6 (0.39) P2RY2P2RY6P2RY4POLBDUT
SCHEMBL12729564 0.75 P2RY6 (0.38) P2RY2P2RY6P2RY4DUTPOLA1
SCHEMBL12369368 0.74 P2RY12 (0.52) P2RY2P2RY6POLB

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 6 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
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 P2RY2 249/4885P2RY6 186/4885P2RY4 148/4885

“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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