SCHEMBL18521106

SCHEMBL18521106

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.55
▸ TGM2 P21980 1/20 0.52
▸ P2RY2 P41231 2/20 0.52
▸ P2RY4 P51582 1/20 0.52
▸ P2RY6 Q15077 1/20 0.52
▸ STING1 Q86WV6 4/20 0.51
▸ FUT5 Q11128 1/20 0.51
▸ GSK3A P49840 2/20 0.49
▸ RPS6KA3 P51812 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ KRAS P01116 2/20 0.48
▸ HINT1 P49773 2/20 0.48
▸ PNP P00491 1/20 0.47
▸ IMPDH2 P12268 2/20 0.47
▸ DNPH1 O43598 1/20 0.47
▸ PRKAB2 O43741 1/20 0.47
▸ TRPM2 O94759 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ FBP1 P09467 1/20 0.47

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
SCHEMBL18521115 1.00 NT5E (0.55) NT5ETGM2P2RY2P2RY4P2RY6
SCHEMBL18521690 1.00 NT5E (0.55) NT5ETGM2P2RY2P2RY4P2RY6
SCHEMBL22381538 0.94 STING1 (0.50) NT5ETGM2P2RY2P2RY4P2RY6
SCHEMBL22381542 0.94 STING1 (0.50) NT5ETGM2P2RY2P2RY4P2RY6
SCHEMBL21943885 0.93 NT5E (0.53) NT5ETGM2P2RY2P2RY4P2RY6
SCHEMBL18521712 0.93 NT5E (0.57) NT5ETGM2P2RY2P2RY4P2RY6
SCHEMBL18521362 0.92 STING1 (0.48) NT5ETGM2P2RY2P2RY4P2RY6
SCHEMBL22399641 0.90 POLB (0.53) NT5ETGM2P2RY2P2RY4P2RY6
SCHEMBL18521689 0.90 FUT5 (0.55) NT5ETGM2P2RY2P2RY4P2RY6
SCHEMBL18521175 0.90 POLB (0.53) NT5ETGM2P2RY2P2RY4P2RY6

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 5 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

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 NT5E 1372/4885TGM2 3107/4885P2RY2 88/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 NT5E 1372/4885TGM2 3107/4885P2RY2 88/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 NT5E 1372/4885TGM2 3107/4885P2RY2 88/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 NT5E 56/4885TGM2 4222/4885P2RY2 33/4885
US-20200113924-A1 CYCLIC DINUCLEOTIDE STING AGONISTS FOR CANCER TREATMENT STING1, CGAS, MAVS NT5E 678/4885TGM2 2224/4885P2RY2 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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