SCHEMBL12621476

SCHEMBL12621476

CC(C)CNc1nc2c(ncn2[C@@H]2O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]3C2O)c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 9/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL22984011 1.00 STING1 (0.44) STING1PDE3BPDE3ATAS1R3TAS1R1
SCHEMBL25504663 1.00 STING1 (0.44) STING1PDE3BPDE3ATAS1R3TAS1R1
SCHEMBL19491649 1.00 STING1 (0.44) STING1PDE3BPDE3ATAS1R3TAS1R1
SCHEMBL19880310 0.88 KDM4E (0.47) STING1PDE3BPDE3ATAS1R3TAS1R1
SCHEMBL19509409 0.88 KDM4E (0.47) STING1PDE3BPDE3ATAS1R3TAS1R1
SCHEMBL25496217 0.88 KDM4E (0.47) STING1PDE3BPDE3ATAS1R3TAS1R1
SCHEMBL10457794 0.88 KDM4E (0.47) STING1PDE3BPDE3ATAS1R3TAS1R1
SCHEMBL18954971 0.88 KDM4E (0.47) STING1PDE3BPDE3ATAS1R3TAS1R1
SCHEMBL1936920 0.88 KDM4E (0.47) STING1PDE3BPDE3ATAS1R3TAS1R1
SCHEMBL19502688 0.87 TAS1R3 (0.46) STING1PDE3BPDE3ATAS1R3TAS1R1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249173-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, LLC (US) 2016-02-02 — — US disclosed
US-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2014-09-11 — — US disclosed
US-7951789-B2 Compounds and pharmaceutical compositions for the treatment of viral infections IDENIX PHARMACEUTICALS, INC. (US) 2011-05-31 — — 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-20140255339-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS HAVCR2, PYGL, GYS2 STING1 202/4885PDE3B 1389/4885PDE3A 1772/4885

“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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