SCHEMBL18490388

SCHEMBL18490388

COC1O[C@@H]2[C@H](O1)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]2c1n[nH]c2c(N)ncnc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 7/20 0.46
▸ P2RX4 Q99571 6/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ P2RX1 P51575 4/20 0.46
▸ P2RY1 P47900 4/20 0.44
▸ P2RY2 P41231 3/20 0.44
▸ P2RY12 Q9H244 2/20 0.44
▸ P2RX2 Q9UBL9 3/20 0.43
▸ ENTPD1 P49961 2/20 0.41
▸ RNASEL Q05823 1/20 0.41
▸ SRC P12931 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL18520980 1.00 P2RX3 (0.46) P2RX3P2RX4P2RX7P2RX1P2RY1
SCHEMBL22381736 0.91 P2RX3 (0.47) P2RX3P2RX4P2RX7P2RX1P2RY1
SCHEMBL22381837 0.86 P2RX3 (0.45) P2RX3P2RX4P2RX7P2RX1P2RY1
SCHEMBL29881649 0.84 P2RY1 (0.53) P2RX3P2RX4P2RX1P2RY1P2RY2
SCHEMBL10021598 0.84 P2RY1 (0.53) P2RX3P2RX4P2RX1P2RY1P2RY2
SCHEMBL10053225 0.84 P2RY1 (0.53) P2RX3P2RX4P2RX1P2RY1P2RY2
SCHEMBL18490376 0.84 P2RY1 (0.53) P2RX3P2RX4P2RX1P2RY1P2RY2
SCHEMBL18520983 0.81 GAA (0.40) SMN1; SMN2
SCHEMBL18490360 0.81 GAA (0.40) SMN1; SMN2
Phosphoric Acid SCHEMBL18490389 0.79 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334745-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-15 — — EP disclosed
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2022-09-27 — — 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-10106574-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2018-10-23 — — US disclosed
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-30 — — US disclosed
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-23 — — US disclosed
EP-3334745-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2018-06-20 — — EP disclosed
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — WO disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — US disclosed
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-27 — — 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 (8 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-10106574-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 P2RX3 127/4885P2RX4 162/4885P2RX7 68/4885
US-20150243908-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 P2RX3 3719/4885P2RX4 3049/4885P2RX7 2812/4885
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 P2RX3 127/4885P2RX4 162/4885P2RX7 68/4885
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 P2RX3 127/4885P2RX4 162/4885P2RX7 68/4885
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 P2RX3 127/4885P2RX4 162/4885P2RX7 68/4885
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 P2RX3 127/4885P2RX4 162/4885P2RX7 68/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 P2RX3 127/4885P2RX4 162/4885P2RX7 68/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 P2RX3 127/4885P2RX4 162/4885P2RX7 68/4885

“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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