SCHEMBL21943904

SCHEMBL21943904

C[C@H]1[C@H](O[PH](=O)O)[C@@H](COP(=O)(O)O[C@@H]2C[C@@H](CO)O[C@H]2n2cnc3c(=O)[nH]c(N)nc32)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FUT5 Q11128 1/20 0.52
▸ RNASEL Q05823 11/20 0.49

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
SCHEMBL22399487 0.93 FUT5 (0.50) FUT5RNASEL
SCHEMBL18521534 0.91 NT5E (0.45) FUT5RNASEL
SCHEMBL18510908 0.90 FUT5 (0.61) FUT5RNASEL
SCHEMBL22381773 0.90 FUT5 (0.61) FUT5RNASEL
SCHEMBL18521985 0.90 FUT5 (0.61) FUT5RNASEL
SCHEMBL18510894 0.90 FUT5 (0.61) FUT5RNASEL
SCHEMBL21454979 0.88 FUT5 (0.55) FUT5RNASEL
SCHEMBL21454748 0.88 FUT5 (0.55) FUT5RNASEL
SCHEMBL18520837 0.88 FUT5 (0.59) FUT5RNASEL
SCHEMBL21454864 0.88 FUT5 (0.49) FUT5RNASEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 — — US disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 — — 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 (2 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-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 FUT5 4192/4885RNASEL 1846/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS FUT5 4547/4885RNASEL 3382/4885

“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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