SCHEMBL18510951

SCHEMBL18510951

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2c2cnc3c(=O)[nH]cnn23)[C@@H](O)[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 9/20 0.63
▸ P2RY1 P47900 3/20 0.58
▸ P2RY2 P41231 2/20 0.58
▸ SRC P12931 1/20 0.58
▸ P2RX1 P51575 1/20 0.58
▸ P2RX3 P56373 1/20 0.58
▸ P2RX4 Q99571 1/20 0.58
▸ P2RX2 Q9UBL9 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ SMN1; SMN2 Q16637 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
SCHEMBL18521228 0.94 RNASEL (0.54) RNASELSMN1; SMN2
SCHEMBL21539232 0.92 RNASEL (0.56) RNASEL
SCHEMBL22381497 0.90 P2RY1 (0.56) RNASELP2RY1P2RY2SRCP2RX1
SCHEMBL18520902 0.90 P2RY1 (0.56) RNASELP2RY1P2RY2SRCP2RX1
SCHEMBL18521787 0.86 RNASEL (0.77) RNASEL
SCHEMBL18520903 0.85 RNASEL (0.68) RNASEL
SCHEMBL18521838 0.84 RNASEL (0.62) RNASELP2RY1P2RY2SRCP2RX1
SCHEMBL24113798 0.84 RNASEL (0.88) RNASEL
SCHEMBL21127983 0.84 RNASEL (0.88) RNASEL
SCHEMBL13020760 0.84 RNASEL (0.88) 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-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — 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 (5 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 574/4885P2RY1 34/4885P2RY2 88/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 RNASEL 574/4885P2RY1 34/4885P2RY2 88/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 RNASEL 574/4885P2RY1 34/4885P2RY2 88/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 RNASEL 1846/4885P2RY1 30/4885P2RY2 33/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS RNASEL 3382/4885P2RY1 738/4885P2RY2 819/4885

“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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