SCHEMBL22399576

SCHEMBL22399576

Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](F)[C@H]2OP(=O)(S)OCC[C@H]2O[C@@H](c3cnc4c(N)ncnn34)C[C@@H]2O)c(=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 4/20 0.45
▸ NT5E P21589 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ FUT5 Q11128 1/20 0.39
▸ P2RY2 P41231 1/20 0.38
▸ P2RY4 P51582 1/20 0.38
▸ P2RY6 Q15077 1/20 0.38
▸ KRAS P01116 7/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ F2 P00734 1/20 0.37

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
SCHEMBL22381960 0.94 STING1 (0.46) STING1NT5EPOLBTGM2FUT5
SCHEMBL24499551 0.94 STING1 (0.46) STING1NT5EPOLBTGM2FUT5
SCHEMBL18520923 0.94 STING1 (0.46) STING1NT5EPOLBTGM2FUT5
SCHEMBL21943268 0.92 FUT5 (0.40) STING1NT5EPOLBTGM2FUT5
SCHEMBL22381591 0.91 STING1 (0.46) STING1NT5EPOLBTGM2FUT5
SCHEMBL18522191 0.89 STING1 (0.46) STING1NT5EPOLBTGM2FUT5
SCHEMBL21942808 0.87 STING1 (0.44) STING1NT5EPOLBTGM2FUT5
SCHEMBL22399385 0.87 NT5E (0.40) STING1NT5EPOLBTGM2FUT5
SCHEMBL18520897 0.86 POLB (0.45) STING1NT5EPOLBTGM2FUT5
SCHEMBL18520927 0.86 STING1 (0.46) STING1NT5EPOLBTGM2FUT5

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1372/4885POLB 354/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 STING1 1/4885NT5E 56/4885POLB 519/4885

“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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