SCHEMBL18520839

SCHEMBL18520839

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3ccc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 17/20 0.64
▸ TGM2 P21980 1/20 0.59
▸ NT5E P21589 1/20 0.58

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
SCHEMBL18521212 1.00 RNASEL (0.64) RNASELTGM2NT5E
SCHEMBL18510897 1.00 RNASEL (0.64) RNASELTGM2NT5E
SCHEMBL18521093 1.00 RNASEL (0.64) RNASELTGM2NT5E
SCHEMBL22399497 0.95 RNASEL (0.62) RNASELTGM2NT5E
SCHEMBL18521217 0.94 RNASEL (0.57) RNASELTGM2NT5E
SCHEMBL24499555 0.93 RNASEL (0.56) RNASELTGM2NT5E
SCHEMBL18510943 0.93 RNASEL (0.59) RNASELTGM2NT5E
SCHEMBL18510920 0.93 RNASEL (0.58) RNASEL
SCHEMBL21942759 0.92 RNASEL (0.63) RNASELTGM2NT5E
SCHEMBL22399311 0.92 RNASEL (0.69) RNASEL

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-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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 — — US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 — — US disclosed
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2020-04-16 — — US disclosed
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT MERCK SHARP & DOHME CORP. (US) 2019-10-31 — — US disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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 (6 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 RNASEL 574/4885TGM2 3107/4885NT5E 1372/4885
US-20190328762-A1 COMBINATIONS OF PD-1 ANTAGONISTS AND CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS RNASEL 3097/4885TGM2 2630/4885NT5E 388/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 RNASEL 574/4885TGM2 3107/4885NT5E 1372/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 RNASEL 574/4885TGM2 3107/4885NT5E 1372/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 RNASEL 1846/4885TGM2 4222/4885NT5E 56/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS RNASEL 3382/4885TGM2 2224/4885NT5E 678/4885

“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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