SCHEMBL18521109

SCHEMBL18521109

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](F)[C@H]2P(=O)(S)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](F)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.58
▸ P2RY1 P47900 4/20 0.51
▸ P2RY2 P41231 3/20 0.51
▸ SRC P12931 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TRPM2 O94759 2/20 0.51
▸ DNPH1 O43598 1/20 0.51
▸ PRKAB2 O43741 1/20 0.51
▸ LDHA P00338 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ FBP1 P09467 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA2 P54646 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ PRKAA1 Q13131 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ TAS1R3 Q7RTX0 1/20 0.51
▸ TAS1R1 Q7RTX1 1/20 0.51

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
SCHEMBL21942736 1.00 NT5E (0.58) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18521133 1.00 NT5E (0.58) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL21943405 1.00 NT5E (0.58) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18522315 1.00 NT5E (0.58) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18521103 1.00 NT5E (0.58) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18521129 1.00 NT5E (0.58) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18521585 1.00 NT5E (0.58) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL24499787 0.94 NT5E (0.57) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL22381551 0.94 NT5E (0.57) NT5EP2RY1P2RY2SRCSMN1; SMN2
SCHEMBL18522081 0.94 NT5E (0.57) NT5EP2RY1P2RY2SRCSMN1; SMN2

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-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-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 (3 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 NT5E 1372/4885P2RY1 34/4885P2RY2 88/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 NT5E 1372/4885P2RY1 34/4885P2RY2 88/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 NT5E 56/4885P2RY1 30/4885P2RY2 33/4885

“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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