SCHEMBL12729601

SCHEMBL12729601

CC(CSSc1ccccn1)OC(=O)Nc1nc2c(ncn2C2CC3O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OCC3O2)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ POLA1 P09884 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ STING1 Q86WV6 2/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL12729571 0.86 ADORA3 (0.33) —
SCHEMBL12729600 0.82 POLA1 (0.52) KDM4EPOLA1TAS1R3TAS1R1
SCHEMBL12729593 0.80 KDM4E (0.41) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL17833859 0.77 POLB (0.47) KDM4EPOLA1TAS1R3TAS1R1
SCHEMBL22984000 0.76 KDM4E (0.40) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL25504661 0.76 KDM4E (0.40) KDM4EPOLA1TAS1R3TAS1R1ALDH1A1
SCHEMBL12531469 0.73 POLB (0.34) —
SCHEMBL12729604 0.72 STING1 (0.46) STING1
SCHEMBL8620596 0.72 STING1 (0.46) STING1
SCHEMBL12729592 0.72 HDAC1 (0.37) —

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 KDM4E 1828/4885POLA1 100/4885TAS1R3 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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