SCHEMBL18521099

SCHEMBL18521099

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)C[C@H]2P(=O)(S)OC[C@H]2O[C@@H](n3nnc4c(N)ncnc43)[C@@H](F)[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 10/20 0.50
▸ NT5E P21589 2/20 0.48
▸ FUT5 Q11128 1/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ KRAS P01116 4/20 0.44
▸ DNPH1 O43598 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ TRPM2 O94759 1/20 0.43
▸ LDHA P00338 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ FBP1 P09467 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ P2RY2 P41231 1/20 0.43
▸ P2RY1 P47900 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43

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
SCHEMBL24499034 1.00 STING1 (0.50) STING1NT5EFUT5TGM2KRAS
SCHEMBL22399358 0.94 STING1 (0.49) STING1NT5EFUT5KRAS
SCHEMBL24499127 0.93 NT5E (0.55) STING1NT5ETGM2DNPH1PRKAB2
SCHEMBL18522135 0.92 STING1 (0.48) STING1NT5EFUT5TGM2KRAS
SCHEMBL22381644 0.91 STING1 (0.51) STING1NT5EFUT5TGM2KRAS
SCHEMBL18520845 0.91 STING1 (0.51) STING1NT5EFUT5TGM2KRAS
SCHEMBL18521807 0.91 STING1 (0.51) STING1NT5EFUT5TGM2KRAS
SCHEMBL21539371 0.91 STING1 (0.51) STING1NT5EFUT5TGM2KRAS
SCHEMBL18510997 0.91 STING1 (0.51) STING1NT5EFUT5TGM2KRAS
SCHEMBL18522254 0.91 STING1 (0.51) STING1NT5EFUT5TGM2KRAS

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 STING1 1/4885NT5E 1372/4885FUT5 4404/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 STING1 1/4885NT5E 1372/4885FUT5 4404/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 STING1 1/4885NT5E 56/4885FUT5 4192/4885

“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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