SCHEMBL12729600

SCHEMBL12729600

CC(CSSc1ccccn1)OC(=O)Nc1nc2c(ncn2C2CC(O)C(CO)O2)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TYMP P19971 1/20 0.40
▸ PNP P00491 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXFP1 Q9HBX9 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
SCHEMBL17833859 0.89 POLB (0.47) POLA1KDM4ETAS1R3TAS1R1TYMP
SCHEMBL12729570 0.85 SLC29A1 (0.47) —
SCHEMBL17834988 0.85 SLC29A1 (0.47) —
SCHEMBL12729601 0.82 KDM4E (0.39) POLA1KDM4ETAS1R3TAS1R1
SCHEMBL12729615 0.81 CYP1A2 (0.43) POLA1PNPLMNATP53HTT
SCHEMBL25507075 0.78 KDM4E (0.72) POLA1KDM4ETAS1R3TAS1R1PNP
SCHEMBL264545 0.78 KDM4E (0.72) POLA1KDM4ETAS1R3TAS1R1PNP
SCHEMBL12714741 0.78 KDM4E (0.72) POLA1KDM4ETAS1R3TAS1R1PNP
SCHEMBL20346237 0.78 KDM4E (0.72) POLA1KDM4ETAS1R3TAS1R1PNP
SCHEMBL264546 0.78 KDM4E (0.72) POLA1KDM4ETAS1R3TAS1R1PNP

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 POLA1 100/4885KDM4E 1828/4885TAS1R3 4303/4885

“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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